2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(5-nitro-2-furanyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H12N2O7/c1-5-9(12(16)17)11(10(13(18)19)6(2)14-5)7-3-4-8(22-7)15(20)21/h3-4,11,14H,1-2H3,(H,16,17)(H,18,19)