2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[1-(3-nitrophenyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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