2-methyl-4-(3-nitrophenyl)-6-propan-2-yl-2,3-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-propan-2-yl-2,3-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 6-isopropyl-2-methyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-propan-2-yl-2,3-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-propan-2-yl-2,3-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 6-isopropyl-2-methyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3,5-dicarboxylic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C(C(=N1)C(C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(C(=C(C(=N1)C(C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N2O6/c1-8(2)15-14(17(22)23)13(12(16(20)21)9(3)18-15)10-5-4-6-11(7-10)19(24)25/h4-9,12H,1-3H3,(H,20,21)(H,22,23)