[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7/c1-9(27-17(23)11-4-3-5-14(26-2)15(11)21)16(22)19-13-8-10(20(24)25)6-7-12(13)18/h3-9,21H,1-2H3,(H,19,22)