4-(5-bromanylfuran-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(5-bromanylfuran-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(5-bromo-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(5-bromo-2-furanyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(5-bromofuran-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(5-bromo-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C13H12BrNO5/c1-5-9(12(16)17)11(7-3-4-8(14)20-7)10(13(18)19)6(2)15-5/h3-4,11,15H,1-2H3,(H,16,17)(H,18,19)