[2-oxidanylidene-2-(phenethylamino)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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