[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 3-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 3-(2-methylpropanoylamino)benzoate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 3-(2-methylpropanoylamino)benzoate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)benzoic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-16(2)24(29)26-19-5-3-4-18(14-19)25(30)33-15-23(28)17-6-10-21(11-7-17)34-22-12-8-20(9-13-22)27(31)32/h3-14,16H,15H2,1-2H3,(H,26,29)