N-[2-[10-[2-[(2,2-dimethyl-1-oxidanidyl-propylidene)amino]phenyl]-15,20-bis[2-(2,2-dimethylpropanoylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,2-dimethyl-propanimidate; iron(2+); nitric oxide

Systemtic Name: N-[2-[10-[2-[(2,2-dimethyl-1-oxidanidyl-propylidene)amino]phenyl]-15,20-bis[2-(2,2-dimethylpropanoylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,2-dimethyl-propanimidate; iron(2+); nitric oxide Openeye Name: ferrous; N-[2-[10-[2-[(2,2-dimethyl-1-oxido-propylidene)amino]phenyl]-15,20-bis[2-(2,2-dimethylpropanoylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,2-dimethyl-propanimidate; nitric oxide CAS Name: N-[2-[10-[2-[(2,2-dimethyl-1-oxidopropylidene)amino]phenyl]-15,20-bis[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,2-dimethylpropanimidate; iron(2+); nitric oxide IUPAC Name: N-[2-[10-[2-[(2,2-dimethyl-1-oxidopropylidene)amino]phenyl]-15,20-bis[2-(2,2-dimethylpropanoylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,2-dimethylpropanimidate; iron(2+); nitric oxide Traditional Name: ferrous; N-[2-[10-[2-[(2,2-dimethyl-1-oxido-propylidene)amino]phenyl]-15,20-bis[2-(pivaloylamino)phenyl]-21,22-dihydroporphin-5-yl]phenyl]-2,2-dimethyl-propionimidate; nitric oxide Formula: C64H64FeN9O5 MolecularWeight: 1095.09526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)C(C)(C)C)C8=CC=CC=C8N=C(C(C)(C)C)[O-])N4)C9=CC=CC=C9N=C(C(C)(C)C)[O-].[N]=O.[Fe+2]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)C(C)(C)C)C8=CC=CC=C8N=C(C(C)(C)C)[O-])N4)C9=CC=CC=C9N=C(C(C)(C)C)[O-].[N]=O.[Fe+2]

InChI

InChI=1S/C64H66N8O4.Fe.NO/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9;;1-2/h13-36,65-66H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76);;/q;+2;/p-2