[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl] ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6/c1-2-7-19-16(23)11-20-17(24)12-28-18(25)14-10-13(22(26)27)5-6-15(14)21-8-3-4-9-21/h5-6,10H,2-4,7-9,11-12H2,1H3,(H,19,23)(H,20,24)