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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-8(2)14-12(16)7-21-13(17)9-4-5-11(20-3)10(6-9)15(18)19/h4-6,8H,7H2,1-3H3,(H,14,16)