ethyl 2-cyano-3-oxidanylidene-3-(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)propanoate

Systemtic Name: ethyl 2-cyano-3-oxidanylidene-3-(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)propanoate Openeye Name: ethyl 2-cyano-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanoate CAS Name: 2-cyano-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanoate Traditional Name: 2-cyano-3-keto-3-(3-keto-2-phenyl-1H-1,2,4-triazol-5-yl)propionic acid ethyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=NC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)C1=NC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H12N4O4/c1-2-22-13(20)10(8-15)11(19)12-16-14(21)18(17-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,16,17,21)