diethyl 2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]propanedioate Openeye Name: diethyl 2-[[4-(1,2,4-triazol-1-yl)phenyl]methylene]propanedioate CAS Name: 2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]propanedioate Traditional Name: 2-[4-(1,2,4-triazol-1-yl)benzylidene]malonic acid diethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)N2C=NC=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)N2C=NC=N2)C(=O)OCC

InChI

InChI=1S/C16H17N3O4/c1-3-22-15(20)14(16(21)23-4-2)9-12-5-7-13(8-6-12)19-11-17-10-18-19/h5-11H,3-4H2,1-2H3