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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6/c1-2-3-8-19-18(25)20-16(23)12-28-17(24)14-11-13(22(26)27)6-7-15(14)21-9-4-5-10-21/h6-7,11H,2-5,8-10,12H2,1H3,(H2,19,20,23,25)