N-(4-fluoranyl-3-nitro-phenyl)-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C16H12FN5O4 MolecularWeight: 357.295983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN5O4/c17-12-6-5-10(9-14(12)22(25)26)18-15(23)7-8-21-16(24)11-3-1-2-4-13(11)19-20-21/h1-6,9H,7-8H2,(H,18,23)