[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-13(17(21)19-12-11-14-7-3-2-4-8-14)25-18(22)15-9-5-6-10-16(15)20(23)24/h2-10,13H,11-12H2,1H3,(H,19,21)