ethyl (2E)-2-[azanyl(benzotriazol-1-yl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[azanyl(benzotriazol-1-yl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[amino(benzotriazol-1-yl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[amino(1-benzotriazolyl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[amino(benzotriazol-1-yl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-amino-3-(benzotriazol-1-yl)acrylic acid ethyl ester Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1C2=CC=CC=C2N=N1)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(\N)/N1C2=CC=CC=C2N=N1)/C(=O)C

InChI

InChI=1S/C13H14N4O3/c1-3-20-13(19)11(8(2)18)12(14)17-10-7-5-4-6-9(10)15-16-17/h4-7H,3,14H2,1-2H3/b12-11+