methyl 3-nitro-5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5/c1-33-23(30)18-12-17(13-20(14-18)28(31)32)22(29)26-9-5-16(6-10-26)21-25-8-11-27(21)15-19-4-2-3-7-24-19/h2-4,7-8,11-14,16H,5-6,9-10,15H2,1H3