[5-[(4-methoxyphenyl)methoxy]-2-nitro-phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [5-[(4-methoxyphenyl)methoxy]-2-nitro-phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [5-[(4-methoxyphenyl)methoxy]-2-nitro-phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [5-[(4-methoxyphenyl)methoxy]-2-nitrophenyl] ester IUPAC Name: [5-[(4-methoxyphenyl)methoxy]-2-nitrophenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (2-nitro-5-p-anisyloxy-phenyl) ester Formula: C25H24N2O7 MolecularWeight: 464.46726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)OCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)OCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7/c1-16(2)24(28)26-19-8-6-18(7-9-19)25(29)34-23-14-21(12-13-22(23)27(30)31)33-15-17-4-10-20(32-3)11-5-17/h4-14,16H,15H2,1-3H3,(H,26,28)