[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O5/c1-10-5-6-13(14(7-10)19(22)23)18-15(20)9-24-16(21)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,20)