4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-benzofurazan-4-yl-2,6-dimethyl-1-propyl-4H-pyridine-3,5-dicarboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC3=NON=C32)C(=O)O)C

Isomeric SMILES

CCCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC3=NON=C32)C(=O)O)C

InChI

InChI=1S/C18H19N3O5/c1-4-8-21-9(2)13(17(22)23)15(14(10(21)3)18(24)25)11-6-5-7-12-16(11)20-26-19-12/h5-7,15H,4,8H2,1-3H3,(H,22,23)(H,24,25)