[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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