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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6/c1-2-17-16(23)18-14(21)10-26-15(22)12-9-11(20(24)25)5-6-13(12)19-7-3-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3,(H2,17,18,21,23)