2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitro-pyridine

Systemtic Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitro-pyridine Openeye Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-3-nitro-pyridine CAS Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-3-nitropyridine IUPAC Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitropyridine Traditional Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-3-nitro-pyridine Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O4/c1-26-17-12-16(13-18(14-17)27-2)6-5-15-7-10-22(11-8-15)20-19(23(24)25)4-3-9-21-20/h3-4,9,12-15H,5-8,10-11H2,1-2H3