2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-nitro-4-[2-(p-tolylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-[2-(4-methylbenzyl)oxyphenyl]-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC=C2C3C(=C(NC(=C3[N+](=O)[O-])C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C3C(=C(NC(=C3[N+](=O)[O-])C)C)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-13-8-10-16(11-9-13)12-29-18-7-5-4-6-17(18)20-19(22(25)26)14(2)23-15(3)21(20)24(27)28/h4-11,20,23H,12H2,1-3H3,(H,25,26)