N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H11BrFN5O3 MolecularWeight: 420.192643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C16H11BrFN5O3/c17-12-2-3-13(18)11(5-12)7-20-16(24)10-1-4-14(15(6-10)23(25)26)22-9-19-8-21-22/h1-6,8-9H,7H2,(H,20,24)