4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C15H14N5O3- MolecularWeight: 312.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=NC3=NC=NN3)[O-]

InChI

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