4-(2-chloranyl-3-methanoyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid

Systemtic Name: 4-(2-chloranyl-3-methanoyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid Openeye Name: 4-(2-chloro-3-formyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid CAS Name: 4-(2-chloro-3-formyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid IUPAC Name: 4-(2-chloro-3-formyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid Traditional Name: 4-(5-carbomethoxy-2-chloro-3-formyl-6-methyl-1,4-dihydropyridin-4-yl)benzoic acid Formula: C16H14ClNO5 MolecularWeight: 335.73906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)Cl)C=O)C2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)Cl)C=O)C2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(11(7-19)14(17)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13,18H,1-2H3,(H,20,21)