[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] benzoate

Systemtic Name: [(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] benzoate Openeye Name: [(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino] benzoate CAS Name: benzoic acid [(E)-1-(1-benzotriazolyl)propan-2-ylideneamino] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino] benzoate Traditional Name: benzoic acid [(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino] ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=CC=CC=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\OC(=O)C1=CC=CC=C1)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O2/c1-12(18-22-16(21)13-7-3-2-4-8-13)11-20-15-10-6-5-9-14(15)17-19-20/h2-10H,11H2,1H3/b18-12+