[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O6/c1-24-12-6-7-13(14(8-12)19(22)23)18-15(20)9-25-16(21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,20)