dimethyl (4S)-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl (4S)-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-(6-chloro-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(6-chloro-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-(6-chloro-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(6-chloro-1,3-benzodioxol-5-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C16H14ClNO6 MolecularWeight: 351.73846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=NC=C(C1C2=CC3=C(C=C2Cl)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1C=NC=C([C@H]1C2=CC3=C(C=C2Cl)OCO3)C(=O)OC

InChI

InChI=1S/C16H14ClNO6/c1-21-15(19)9-5-18-6-10(16(20)22-2)14(9)8-3-12-13(4-11(8)17)24-7-23-12/h3-6,9,14H,7H2,1-2H3/t9?,14-/m0/s1