[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O7 MolecularWeight: 439.2142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O7/c1-25-14-6-3-10(7-15(14)26-2)17(22)27-9-16(21)19-13-5-4-11(20(23)24)8-12(13)18/h3-8H,9H2,1-2H3,(H,19,21)