(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12N4O3/c19-11-14-7-5-13(6-8-14)9-10-17(23)25-12-22-18(24)15-3-1-2-4-16(15)20-21-22/h1-10H,12H2/b10-9+