N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-nitro-benzenecarboximidamide

Systemtic Name: N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-nitro-benzenecarboximidamide Openeye Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-nitro-benzamidine CAS Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-nitrobenzenecarboximidamide IUPAC Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-nitrobenzenecarboximidamide Traditional Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-nitro-benzamidine Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CC=C(C=C3)[N+](=O)[O-])NC#N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CC=C(C=C3)[N+](=O)[O-])NC#N)O)C

InChI

InChI=1S/C20H17N5O4/c1-20(2)18(26)17(15-9-12(10-21)3-8-16(15)29-20)24-19(23-11-22)13-4-6-14(7-5-13)25(27)28/h3-9,17-18,26H,1-2H3,(H,23,24)