[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

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