5-[(2-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-(phenethylamino)-2-phenylazanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[(2-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-(phenethylamino)-2-phenylazanyl-pyridine-3-carbonitrile Openeye Name: 2-anilino-5-(2-cyano-4-nitro-phenyl)azo-4-methyl-6-(phenethylamino)pyridine-3-carbonitrile CAS Name: 2-anilino-5-(2-cyano-4-nitrophenyl)azo-4-methyl-6-(phenethylamino)-3-pyridinecarbonitrile IUPAC Name: 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methyl-6-(phenethylamino)pyridine-3-carbonitrile Traditional Name: 2-anilino-5-(2-cyano-4-nitro-phenyl)azo-4-methyl-6-(phenethylamino)nicotinonitrile Formula: C28H22N8O2 MolecularWeight: 502.52668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCC3=CC=CC=C3)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCC3=CC=CC=C3)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H22N8O2/c1-19-24(18-30)27(32-22-10-6-3-7-11-22)33-28(31-15-14-20-8-4-2-5-9-20)26(19)35-34-25-13-12-23(36(37)38)16-21(25)17-29/h2-13,16H,14-15H2,1H3,(H2,31,32,33)