methyl 3-nitro-5-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(3-pyridylmethylcarbamoyl)piperidine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo-(3-pyridinylmethylamino)methyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(pyridin-3-ylmethylcarbamoyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(3-pyridylmethylcarbamoyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-31-21(28)17-9-16(10-18(11-17)25(29)30)20(27)24-7-4-15(5-8-24)19(26)23-13-14-3-2-6-22-12-14/h2-3,6,9-12,15H,4-5,7-8,13H2,1H3,(H,23,26)