methyl (E)-3-(1,2,4-benzotriazin-6-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(1,2,4-benzotriazin-6-yl)prop-2-enoate Openeye Name: methyl (E)-3-(1,2,4-benzotriazin-6-yl)prop-2-enoate CAS Name: (E)-3-(1,2,4-benzotriazin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,2,4-benzotriazin-6-yl)prop-2-enoate Traditional Name: (E)-3-(1,2,4-benzotriazin-6-yl)acrylic acid methyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2.COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2

Isomeric SMILES

COC(=O)/C=C/C1=CC2=C(N=NC=N2)C=C1.COC(=O)/C=C/C1=CC2=C(N=NC=N2)C=C1

InChI

InChI=1S/2C11H9N3O2/c2*1-16-11(15)5-3-8-2-4-9-10(6-8)12-7-13-14-9/h2*2-7H,1H3/b2*5-3+