methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]benzoate CAS Name: 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate Traditional Name: 3-nitro-4-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidino]benzoic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-28-20(25)14-4-5-17(18(11-14)24(26)27)23-8-6-13(7-9-23)15-12-16(22-21-15)19-3-2-10-29-19/h2-5,10-13H,6-9H2,1H3,(H,21,22)