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

Systemtic Name: 5-(2-chloroethyloxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-chloroethoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-chloroethoxy(oxo)methyl]-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-chloroethoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-chloroethoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H17ClN2O6 MolecularWeight: 380.77968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6/c1-9-13(16(21)22)15(11-5-3-4-6-12(11)20(24)25)14(10(2)19-9)17(23)26-8-7-18/h3-6,15,19H,7-8H2,1-2H3,(H,21,22)