2-[4-(3-azanyl-1,2,4-triazol-4-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3-azanyl-1,2,4-triazol-4-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-amino-1,2,4-triazol-4-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-amino-1,2,4-triazol-4-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-amino-1,2,4-triazol-4-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(3-amino-1,2,4-triazol-4-yl)-4-keto-butyl]isoindoline-1,3-quinone Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=NN=C3N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=NN=C3N

InChI

InChI=1S/C14H13N5O3/c15-14-17-16-8-19(14)11(20)6-3-7-18-12(21)9-4-1-2-5-10(9)13(18)22/h1-2,4-5,8H,3,6-7H2,(H2,15,17)