(4-nitrophenyl)methyl 3-(2-methylpropanoylamino)benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-methylpropanoylamino)benzoate Openeye Name: (4-nitrophenyl)methyl 3-(2-methylpropanoylamino)benzoate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)benzoic acid (4-nitrobenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12(2)17(21)19-15-5-3-4-14(10-15)18(22)25-11-13-6-8-16(9-7-13)20(23)24/h3-10,12H,11H2,1-2H3,(H,19,21)