[(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] benzoate

Systemtic Name: [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] benzoate Openeye Name: [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] benzoate CAS Name: benzoic acid [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] ester IUPAC Name: [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] benzoate Traditional Name: benzoic acid [(E)-[2-methyl-2-(1,2,4-triazol-1-yl)propylidene]amino] ester Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(/C=N/OC(=O)C1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C13H14N4O2/c1-13(2,17-10-14-9-15-17)8-16-19-12(18)11-6-4-3-5-7-11/h3-10H,1-2H3/b16-8+