[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-4-8-16-14(18)10(3)23-15(19)11-6-7-13(22-5-2)12(9-11)17(20)21/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)