3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-nitro-1,2,3-benzotriazin-4-one Formula: C16H13FN4O4 MolecularWeight: 344.297223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N=N2)F

Isomeric SMILES

COC1=CC(=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N=N2)F

InChI

InChI=1S/C16H13FN4O4/c1-25-12-4-2-10(14(17)9-12)6-7-20-16(22)13-5-3-11(21(23)24)8-15(13)18-19-20/h2-5,8-9H,6-7H2,1H3