2-methyl-4-(3-nitrophenyl)-6-(2-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-(2-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-[2-(3-pyridyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[2-(3-pyridinyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-(2-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[2-(3-pyridyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCCC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COCCC2=CN=CC=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H21N3O7/c1-13-18(21(26)27)19(15-5-2-6-16(10-15)25(30)31)20(22(28)29)17(24-13)12-32-9-7-14-4-3-8-23-11-14/h2-6,8,10-11,19,24H,7,9,12H2,1H3,(H,26,27)(H,28,29)