propan-2-yl 3-(4-methylphenyl)-3-[(4-nitro-3-oxidanyl-phenyl)carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-[(4-nitro-3-oxidanyl-phenyl)carbonylamino]propanoate Openeye Name: isopropyl 3-[(3-hydroxy-4-nitro-benzoyl)amino]-3-(p-tolyl)propanoate CAS Name: 3-[[(3-hydroxy-4-nitrophenyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(3-hydroxy-4-nitrobenzoyl)amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[(3-hydroxy-4-nitro-benzoyl)amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-12(2)28-19(24)11-16(14-6-4-13(3)5-7-14)21-20(25)15-8-9-17(22(26)27)18(23)10-15/h4-10,12,16,23H,11H2,1-3H3,(H,21,25)