methyl 2-[3-[(4-methylphenyl)amino]-4-nitro-phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[3-[(4-methylphenyl)amino]-4-nitro-phenyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 2-[3-(4-methylanilino)-4-nitro-phenyl]-6-oxo-hexanoate CAS Name: 2-[3-(4-methylanilino)-4-nitrophenyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylanilino)-4-nitrophenyl]-6-oxohexanoate Traditional Name: 6-keto-2-[4-nitro-3-(p-toluidino)phenyl]hexanoic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-14-6-9-16(10-7-14)21-18-13-15(8-11-19(18)22(25)26)17(20(24)27-2)5-3-4-12-23/h6-13,17,21H,3-5H2,1-2H3