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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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