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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-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-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5/c22-16(10-9-12-5-1-4-8-15(12)21(24)25)26-11-20-17(23)13-6-2-3-7-14(13)18-19-20/h1-10H,11H2/b10-9+