dimethyl 5-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H23N3O7/c1-31-21(27)15-11-16(22(28)32-2)13-17(12-15)23-20(26)14-7-9-24(10-8-14)18-5-3-4-6-19(18)25(29)30/h3-6,11-14H,7-10H2,1-2H3,(H,23,26)