2-[(2-chloranyl-5-nitro-phenyl)methyl]-1-[tris(bromanyl)methyl]-1H-isoquinoline

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl]-1-[tris(bromanyl)methyl]-1H-isoquinoline Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl]-1-(tribromomethyl)-1H-isoquinoline CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl]-1-(tribromomethyl)-1H-isoquinoline IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl]-1-(tribromomethyl)-1H-isoquinoline Traditional Name: 2-(2-chloro-5-nitro-benzyl)-1-(tribromomethyl)-1H-isoquinoline Formula: C17H12Br3ClN2O2 MolecularWeight: 551.45438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(Br)(Br)Br

InChI

InChI=1S/C17H12Br3ClN2O2/c18-17(19,20)16-14-4-2-1-3-11(14)7-8-22(16)10-12-9-13(23(24)25)5-6-15(12)21/h1-9,16H,10H2