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

Systemtic Name: 3-methyl-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)-3-methyl-pyrrole-2,5-dione CAS Name: 3-methyl-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)-3-methylpyrrole-2,5-dione Traditional Name: 1-(3-benzyl-5-keto-1H-1,2,4-triazol-4-yl)-3-methyl-3-pyrroline-2,5-quinone Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3/c1-9-7-12(19)18(13(9)20)17-11(15-16-14(17)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,21)