[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22N4O7 MolecularWeight: 430.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H22N4O7/c25-18(22-20(27)21-12-15-5-4-10-30-15)13-31-19(26)16-11-14(24(28)29)6-7-17(16)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12-13H2,(H2,21,22,25,27)