[2-oxidanylidene-2-(propylamino)ethyl] 3-methyl-2-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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