(4-bromophenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-bromophenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-bromophenyl)methyl 4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)butyric acid (4-bromobenzyl) ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O5/c1-12-2-7-15(16(10-12)21(24)25)20-17(22)8-9-18(23)26-11-13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,20,22)