ethyl (2S)-2-(benzotriazol-1-yl)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-(benzotriazol-1-yl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(benzotriazol-1-yl)-3-oxo-3-phenyl-propanoate CAS Name: (2S)-2-(1-benzotriazolyl)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(benzotriazol-1-yl)-3-oxo-3-phenylpropanoate Traditional Name: (2S)-2-(benzotriazol-1-yl)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H15N3O3/c1-2-23-17(22)15(16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3/t15-/m0/s1