[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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