5-isoquinolin-1-yl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-isoquinolin-1-yl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(1-isoquinolyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(1-isoquinolinyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-isoquinolin-1-yl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(1-isoquinolyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N3O4/c1-13-19(22-18-9-4-3-6-15(18)10-11-24-22)21(20(23(27)28)14(2)25-13)16-7-5-8-17(12-16)26(29)30/h3-12,21,25H,1-2H3,(H,27,28)