[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O6/c1-10(22)19-11-3-2-4-12(7-11)20-16(23)9-27-17(24)14-6-5-13(21(25)26)8-15(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,23)