2-(dimethoxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(dimethoxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(dimethoxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(dimethoxymethyl)-6-(1-imidazolylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(dimethoxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(dimethoxymethyl)-6-(imidazol-1-ylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H20N4O8 MolecularWeight: 444.3948

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C(C(=C(N1)CN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC(C1=C(C(C(=C(N1)CN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C20H20N4O8/c1-31-20(32-2)17-16(19(27)28)14(11-4-3-5-12(8-11)24(29)30)15(18(25)26)13(22-17)9-23-7-6-21-10-23/h3-8,10,14,20,22H,9H2,1-2H3,(H,25,26)(H,27,28)