[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 3-nitrobenzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-2-11-19(15-8-4-3-5-9-15)17(21)13-25-18(22)14-7-6-10-16(12-14)20(23)24/h2-10,12H,1,11,13H2