[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-nitrobenzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-nitrobenzoate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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