4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C15H15N4O4- MolecularWeight: 315.304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=NC3=NC=NN3)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=NC3=NC=NN3)[O-])OC1

InChI

InChI=1S/C15H16N4O4/c20-11(3-5-14(21)18-15-16-9-17-19-15)10-2-4-12-13(8-10)23-7-1-6-22-12/h2,4,8-9H,1,3,5-7H2,(H2,16,17,18,19,21)/p-1