2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene

Systemtic Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene Openeye Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene IUPAC Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene Traditional Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid; nitrobenzene Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO4.C6H5NO2/c1-8-11(14(17)18)13(10-6-4-3-5-7-10)12(15(19)20)9(2)16-8;8-7(9)6-4-2-1-3-5-6/h3-7,13,16H,1-2H3,(H,17,18)(H,19,20);1-5H