[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-5-7-17-15(19)10(3)25-16(20)11-8-13(23-4)14(24-6-2)9-12(11)18(21)22/h8-10H,5-7H2,1-4H3,(H,17,19)