1-cyanoethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: 1-cyanoethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: 1-cyanoethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid 1-cyanoethyl ester Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C#N)OC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H12N4O3/c1-9(8-14)20-12(18)6-7-17-13(19)10-4-2-3-5-11(10)15-16-17/h2-5,9H,6-7H2,1H3