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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-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-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H11ClN4O5 MolecularWeight: 386.74604

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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(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4O5/c18-13-7-5-11(9-15(13)22(25)26)6-8-16(23)27-10-21-17(24)12-3-1-2-4-14(12)19-20-21/h1-9H,10H2/b8-6+