2,6-dimethyl-4-(3-nitrophenyl)-1-phenylmethoxy-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-phenylmethoxy-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-benzyloxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-phenylmethoxy-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-phenylmethoxy-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-benzoxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCC2=CC=CC=C2)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1OCC2=CC=CC=C2)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H20N2O7/c1-13-18(21(25)26)20(16-9-6-10-17(11-16)24(29)30)19(22(27)28)14(2)23(13)31-12-15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3,(H,25,26)(H,27,28)