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

Systemtic Name: 5-[(2-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-phenylazanyl-2-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 6-anilino-2-(benzylamino)-5-(2-cyano-4-nitro-phenyl)azo-4-methyl-pyridine-3-carbonitrile CAS Name: 6-anilino-5-(2-cyano-4-nitrophenyl)azo-4-methyl-2-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 6-anilino-2-(benzylamino)-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile Traditional Name: 6-anilino-2-(benzylamino)-5-(2-cyano-4-nitro-phenyl)azo-4-methyl-nicotinonitrile Formula: C27H20N8O2 MolecularWeight: 488.5001

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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)NC3=CC=CC=C3)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC3=CC=CC=C3)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H20N8O2/c1-18-23(16-29)26(30-17-19-8-4-2-5-9-19)32-27(31-21-10-6-3-7-11-21)25(18)34-33-24-13-12-22(35(36)37)14-20(24)15-28/h2-14H,17H2,1H3,(H2,30,31,32)