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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=CC(=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=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)10-4-5-11(15(18)19)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,14,16)