2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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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=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-13-18(21(24)25)19(20(23(26)27)14(2)22-13)16-10-6-7-11-17(16)28-12-15-8-4-3-5-9-15/h3-11,19,22H,12H2,1-2H3,(H,24,25)