[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O6 MolecularWeight: 478.2933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H20BrN3O6/c1-13-11-15(7-10-17(13)21)23-19(26)12-30-20(27)4-2-3-18(25)22-14-5-8-16(9-6-14)24(28)29/h5-11H,2-4,12H2,1H3,(H,22,25)(H,23,26)