[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c1-2-7-18-17(24)19-15(22)11-27-16(23)12-5-6-13(14(10-12)21(25)26)20-8-3-4-9-20/h5-6,10H,2-4,7-9,11H2,1H3,(H2,18,19,22,24)