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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C16H12BrN3O7 MolecularWeight: 438.18638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O7/c1-9-2-5-12(14(6-9)20(25)26)18-15(21)8-27-16(22)10-3-4-11(17)13(7-10)19(23)24/h2-7H,8H2,1H3,(H,18,21)