[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H24N4O7 MolecularWeight: 444.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7/c1-14-4-2-8-24(12-14)17-7-6-15(10-18(17)25(29)30)20(27)32-13-19(26)23-21(28)22-11-16-5-3-9-31-16/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H2,22,23,26,28)