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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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