1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-(nitromethylsulfonyl)indole

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-(nitromethylsulfonyl)indole Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-3-(nitromethylsulfonyl)indole CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-3-(nitromethylsulfonyl)indole IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-3-(nitromethylsulfonyl)indole Traditional Name: 1-(4-bromo-2-fluoro-benzyl)-3-(nitromethylsulfonyl)indole Formula: C16H12BrFN2O4S MolecularWeight: 427.244883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Br)F)S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Br)F)S(=O)(=O)C[N+](=O)[O-]

InChI

InChI=1S/C16H12BrFN2O4S/c17-12-6-5-11(14(18)7-12)8-19-9-16(25(23,24)10-20(21)22)13-3-1-2-4-15(13)19/h1-7,9H,8,10H2