6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 6-(methoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C16H14N2O9 MolecularWeight: 378.29036

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O9/c1-27-6-9-11(14(19)20)10(7-3-2-4-8(5-7)18(25)26)12(15(21)22)13(17-9)16(23)24/h2-5,10,17H,6H2,1H3,(H,19,20)(H,21,22)(H,23,24)