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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C17H13ClN2O6 MolecularWeight: 376.74792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O6/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-26-17(23)12-4-7-14(18)15(8-12)20(24)25/h2-8H,9H2,1H3,(H,19,22)