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

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-3-6-18-16(21)12(2)26-17(22)13-4-5-14(15(11-13)20(23)24)19-7-9-25-10-8-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,21)