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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

InChI

InChI=1S/C18H14ClN3O3/c1-12-6-7-13(10-15(12)19)8-9-17(23)25-11-22-18(24)14-4-2-3-5-16(14)20-21-22/h2-10H,11H2,1H3/b9-8+