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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-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-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C21H21N3O5/c1-3-12-28-18-10-8-15(13-19(18)27-2)9-11-20(25)29-14-24-21(26)16-6-4-5-7-17(16)22-23-24/h4-11,13H,3,12,14H2,1-2H3/b11-9+