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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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