methyl 4-[(E)-3-[(4-chloranyl-2-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-chloranyl-2-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-chloro-2-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-chloro-2-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN3O5/c1-27-18(24)12-4-2-11(3-5-12)8-13(10-20)17(23)21-15-7-6-14(19)9-16(15)22(25)26/h2-9H,1H3,(H,21,23)/b13-8+