ethyl 3-oxidanylidene-5-(1,2,4-triazol-1-yl)pentanoate

Systemtic Name: ethyl 3-oxidanylidene-5-(1,2,4-triazol-1-yl)pentanoate Openeye Name: ethyl 3-oxo-5-(1,2,4-triazol-1-yl)pentanoate CAS Name: 3-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-5-(1,2,4-triazol-1-yl)pentanoate Traditional Name: 3-keto-5-(1,2,4-triazol-1-yl)valeric acid ethyl ester Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CCN1C=NC=N1

Isomeric SMILES

CCOC(=O)CC(=O)CCN1C=NC=N1

InChI

InChI=1S/C9H13N3O3/c1-2-15-9(14)5-8(13)3-4-12-7-10-6-11-12/h6-7H,2-5H2,1H3