dimethyl 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]propanedioate

Systemtic Name: dimethyl 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]propanedioate Openeye Name: dimethyl 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]propanedioate CAS Name: 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]propanedioate Traditional Name: 2-[(2S,3S)-3-nitro-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphin-2-yl]malonic acid dimethyl ester Formula: C49H37N5O6 MolecularWeight: 791.84798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C(C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]1[C@@H](C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C49H37N5O6/c1-59-48(55)44(49(56)60-2)43-45-41(31-19-11-5-12-20-31)37-27-25-35(51-37)39(29-15-7-3-8-16-29)33-23-24-34(50-33)40(30-17-9-4-10-18-30)36-26-28-38(52-36)42(32-21-13-6-14-22-32)46(53-45)47(43)54(57)58/h3-28,43-44,47,51-52H,1-2H3/t43-,47+/m1/s1