(4-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate Openeye Name: (4-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid (4-nitrobenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-3-17(21)19-16-10-14(7-4-12(16)2)18(22)25-11-13-5-8-15(9-6-13)20(23)24/h4-10H,3,11H2,1-2H3,(H,19,21)