[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O6/c1-11-4-2-7-14(22(26)27)17(11)21-15(23)10-28-16(24)9-20-18(25)12-5-3-6-13(19)8-12/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23)