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

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

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