[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H15ClN2O7/c1-25-11-4-5-12(15(8-11)26-2)17(22)27-9-16(21)19-14-7-10(20(23)24)3-6-13(14)18/h3-8H,9H2,1-2H3,(H,19,21)