[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O7/c1-14-8-15(2)12-25(11-14)18-6-5-16(9-19(18)26(30)31)21(28)33-13-20(27)24-22(29)23-10-17-4-3-7-32-17/h3-7,9,14-15H,8,10-13H2,1-2H3,(H2,23,24,27,29)