[4-(1,2,3,4-tetrazol-1-yl)phenyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C23H16N4O4 MolecularWeight: 412.39754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H16N4O4/c28-22(30-19-9-7-18(8-10-19)27-14-24-25-26-27)16-6-11-20-17(12-16)13-21(31-23(20)29)15-4-2-1-3-5-15/h1-12,14,21H,13H2