2-(4-bromanyl-2-methyl-6-nitro-phenyl)-10b,10c-dimethyl-pyrene

Systemtic Name: 2-(4-bromanyl-2-methyl-6-nitro-phenyl)-10b,10c-dimethyl-pyrene Openeye Name: 2-(4-bromo-2-methyl-6-nitro-phenyl)-10b,10c-dimethyl-pyrene CAS Name: 2-(4-bromo-2-methyl-6-nitrophenyl)-10b,10c-dimethylpyrene IUPAC Name: 2-(4-bromo-2-methyl-6-nitrophenyl)-10b,10c-dimethylpyrene Traditional Name: 2-(4-bromo-2-methyl-6-nitro-phenyl)-10b,10c-dimethyl-pyrene Formula: C25H20BrNO2 MolecularWeight: 446.3358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC3=CC=C4C=CC=C5C4(C3(C(=C2)C=C5)C)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC3=CC=C4C=CC=C5C4(C3(C(=C2)C=C5)C)C)[N+](=O)[O-])Br

InChI

InChI=1S/C25H20BrNO2/c1-15-11-21(26)14-22(27(28)29)23(15)16-12-19-9-7-17-5-4-6-18-8-10-20(13-16)25(19,3)24(17,18)2/h4-14H,1-3H3