[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C16H14ClN3O6 MolecularWeight: 379.75186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O6/c1-25-14-5-3-10(20(23)24)7-13(14)19-15(21)8-26-16(22)9-2-4-11(17)12(18)6-9/h2-7H,8,18H2,1H3,(H,19,21)