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

Systemtic Name: (2-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate Openeye Name: (2-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid (2-nitrobenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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