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

Systemtic Name: [2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(2-carbamoylanilino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(2-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoylanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(2-carbamoylanilino)-2-keto-ethyl] ester Formula: C16H12ClN3O6 MolecularWeight: 377.73598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O6/c17-11-6-5-9(7-13(11)20(24)25)16(23)26-8-14(21)19-12-4-2-1-3-10(12)15(18)22/h1-7H,8H2,(H2,18,22)(H,19,21)