N-[4-[(E)-N-[(4-cyano-2-nitro-phenyl)amino]-C-methyl-carbonimidoyl]phenyl]propanamide

Systemtic Name: N-[4-[(E)-N-[(4-cyano-2-nitro-phenyl)amino]-C-methyl-carbonimidoyl]phenyl]propanamide Openeye Name: N-[4-[(E)-N-(4-cyano-2-nitro-anilino)-C-methyl-carbonimidoyl]phenyl]propanamide CAS Name: N-[4-[(1E)-1-[(4-cyano-2-nitrophenyl)hydrazinylidene]ethyl]phenyl]propanamide IUPAC Name: N-[4-[(E)-N-(4-cyano-2-nitroanilino)-C-methylcarbonimidoyl]phenyl]propanamide Traditional Name: N-[4-[(E)-N-(4-cyano-2-nitro-anilino)-C-methyl-carbonimidoyl]phenyl]propionamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])/C

InChI

InChI=1S/C18H17N5O3/c1-3-18(24)20-15-7-5-14(6-8-15)12(2)21-22-16-9-4-13(11-19)10-17(16)23(25)26/h4-10,22H,3H2,1-2H3,(H,20,24)/b21-12+