1-[5-oxidanylidene-3-(phenylmethyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione

Systemtic Name: 1-[5-oxidanylidene-3-(phenylmethyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione Openeye Name: 1-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione CAS Name: 1-[5-oxo-3-(phenylmethyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione IUPAC Name: 1-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3-benzyl-5-keto-1H-1,2,4-triazol-4-yl)-3-pyrroline-2,5-quinone Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C=CC3=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C=CC3=O

InChI

InChI=1S/C13H10N4O3/c18-11-6-7-12(19)17(11)16-10(14-15-13(16)20)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,20)