(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-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-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H10N4O6 MolecularWeight: 342.2631

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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(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6/c20-14(8-6-10-5-7-13(25-10)19(22)23)24-9-18-15(21)11-3-1-2-4-12(11)16-17-18/h1-8H,9H2/b8-6+