[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O5/c1-22(2)15-6-4-11(7-16(15)23(26)27)18(25)28-10-17(24)21-14-8-13(19)5-3-12(14)9-20/h3-8H,10H2,1-2H3,(H,21,24)