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

Systemtic Name: 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-[2-(4-chlorobenzyl)oxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O5/c1-12-18(21(25)26)19(20(24(27)28)13(2)23-12)16-5-3-4-6-17(16)29-11-14-7-9-15(22)10-8-14/h3-10,19,23H,11H2,1-2H3,(H,25,26)