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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C16H13ClN2O7 MolecularWeight: 380.73662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C16H13ClN2O7/c1-25-14-5-3-10(19(23)24)7-12(14)18-15(21)8-26-16(22)11-4-2-9(17)6-13(11)20/h2-7,20H,8H2,1H3,(H,18,21)