4-(5-azanyl-2-chloranyl-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(5-azanyl-2-chloranyl-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(5-amino-2-chloro-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(5-amino-2-chlorophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(5-amino-2-chlorophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(5-amino-2-chloro-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H14ClFN2O4 MolecularWeight: 340.734063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CF)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CF)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

InChI

InChI=1S/C15H14ClFN2O4/c1-6-11(14(20)21)12(8-4-7(18)2-3-9(8)16)13(15(22)23)10(5-17)19-6/h2-4,12,19H,5,18H2,1H3,(H,20,21)(H,22,23)