[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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