[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-8(2)14-12(16)7-20-13(17)10-5-4-9(3)11(6-10)15(18)19/h4-6,8H,7H2,1-3H3,(H,14,16)