[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-8(2)13-11(15)7-19-12(16)9-4-3-5-10(6-9)14(17)18/h3-6,8H,7H2,1-2H3,(H,13,15)