(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N2O7/c1-13-16(20(24)27-2)11-15(29-13)12-28-19(23)14-7-9-21(10-8-14)17-5-3-4-6-18(17)22(25)26/h3-6,11,14H,7-10,12H2,1-2H3