(4-pyrazol-1-ylphenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H17N3O4/c29-23-21-4-1-2-5-22(21)24(30)28(23)20-12-8-18(9-13-20)25(31)32-16-17-6-10-19(11-7-17)27-15-3-14-26-27/h1-15H,16H2