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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O5/c1-10-6-7-14(13(18)8-10)19-15(21)9-25-17(22)12-5-3-4-11(2)16(12)20(23)24/h3-8H,9H2,1-2H3,(H,19,21)