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

Systemtic Name: (3-nitrophenyl)methyl 4-methyl-3-(2-methylpropanoylamino)benzoate Openeye Name: (3-nitrophenyl)methyl 4-methyl-3-(2-methylpropanoylamino)benzoate CAS Name: 4-methyl-3-[(2-methyl-1-oxopropyl)amino]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-methyl-3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)-4-methyl-benzoic acid (3-nitrobenzyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(C)C

InChI

InChI=1S/C19H20N2O5/c1-12(2)18(22)20-17-10-15(8-7-13(17)3)19(23)26-11-14-5-4-6-16(9-14)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,22)