2-butyl-1,3-bis(oxidanylidene)-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboximidate

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboximidate Openeye Name: 2-butyl-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)isoindoline-5-carboximidate CAS Name: 2-butyl-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)-5-isoindolecarboximidate IUPAC Name: 2-butyl-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboximidate Traditional Name: 2-butyl-1,3-diketo-N-(1H-1,2,4-triazol-5-yl)isoindoline-5-carboximidate Formula: C15H14N5O3- MolecularWeight: 312.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H15N5O3/c1-2-3-6-20-13(22)10-5-4-9(7-11(10)14(20)23)12(21)18-15-16-8-17-19-15/h4-5,7-8H,2-3,6H2,1H3,(H2,16,17,18,19,21)/p-1