ethyl 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-oxo-propanoate CAS Name: 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-oxopropanoate Traditional Name: 3-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-keto-propionic acid ethyl ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C)C

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C)C

InChI

InChI=1S/C15H17N3O3/c1-4-21-15(20)9-14(19)12-5-7-13(8-6-12)18-11(3)16-10(2)17-18/h5-8H,4,9H2,1-3H3