2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid

Systemtic Name: 2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid Openeye Name: 2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid CAS Name: 2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid IUPAC Name: 2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid Traditional Name: 2-(diethoxymethyl)-6-(2-nitrophenyl)-1,4-dihydropyridine-3,4-dicarboxylic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C(C=C(N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O)OCC

Isomeric SMILES

CCOC(C1=C(C(C=C(N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O)OCC

InChI

InChI=1S/C18H20N2O8/c1-3-27-18(28-4-2)15-14(17(23)24)11(16(21)22)9-12(19-15)10-7-5-6-8-13(10)20(25)26/h5-9,11,18-19H,3-4H2,1-2H3,(H,21,22)(H,23,24)