[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-nitrobenzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-13(2)19(15-8-4-3-5-9-15)17(21)12-25-18(22)14-7-6-10-16(11-14)20(23)24/h3-11,13H,12H2,1-2H3