(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H17N3O3/c22-17(12-6-9-14-7-2-1-3-8-14)24-13-21-18(23)15-10-4-5-11-16(15)19-20-21/h1-5,7-8,10-11H,6,9,12-13H2