4-(2,1,3-benzoxadiazol-4-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-benzofurazan-4-yl-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C20H13N3O5-2 MolecularWeight: 375.33432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)[O-])C3=CC=CC4=NON=C43)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)[O-])C3=CC=CC4=NON=C43)C(=O)[O-]

InChI

InChI=1S/C20H15N3O5/c1-10-14(19(24)25)15(12-8-5-9-13-18(12)23-28-22-13)16(20(26)27)17(21-10)11-6-3-2-4-7-11/h2-9,15,21H,1H3,(H,24,25)(H,26,27)/p-2