ethyl 3-oxidanylidene-7-(1,2,4-triazol-1-yl)heptanoate

Systemtic Name: ethyl 3-oxidanylidene-7-(1,2,4-triazol-1-yl)heptanoate Openeye Name: ethyl 3-oxo-7-(1,2,4-triazol-1-yl)heptanoate CAS Name: 3-oxo-7-(1,2,4-triazol-1-yl)heptanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-7-(1,2,4-triazol-1-yl)heptanoate Traditional Name: 3-keto-7-(1,2,4-triazol-1-yl)enanthic acid ethyl ester Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CCCCN1C=NC=N1

Isomeric SMILES

CCOC(=O)CC(=O)CCCCN1C=NC=N1

InChI

InChI=1S/C11H17N3O3/c1-2-17-11(16)7-10(15)5-3-4-6-14-9-12-8-13-14/h8-9H,2-7H2,1H3