2,6-dimethyl-5-nitro-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-nitro-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-2,6-dimethyl-5-nitro-3,4-dihydro-1H-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-nitro-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-nitro-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-2,6-dimethyl-5-nitro-3,4-dihydro-1H-pyridine-3-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)(C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CC(C(N1)(C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-14-19(23(26)27)12-18(20(24)25)21(2,22-14)16-8-10-17(11-9-16)28-13-15-6-4-3-5-7-15/h3-11,18,22H,12-13H2,1-2H3,(H,24,25)