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

Systemtic Name: 4-(2-cyanophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-cyanophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-cyanophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-cyanophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-cyanophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C15H13N3O4/c1-8-12(15(19)20)13(14(18(21)22)9(2)17-8)11-6-4-3-5-10(11)7-16/h3-6,13,17H,1-2H3,(H,19,20)