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

Systemtic Name: methyl 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-benzoic acid methyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5/c1-31-18-6-3-15(4-7-18)19-14-20(25-24-19)16-9-11-26(12-10-16)21-8-5-17(23(28)32-2)13-22(21)27(29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,25)