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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-19-15-8-7-14(11-16(15)21(24)25)18(23)26-12-17(22)20-10-9-13-5-3-2-4-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,20,22)