4-bromanyl-3-(3,4-dimethylphenyl)-2-nitro-1-benzofuran

Systemtic Name: 4-bromanyl-3-(3,4-dimethylphenyl)-2-nitro-1-benzofuran Openeye Name: 4-bromo-3-(3,4-dimethylphenyl)-2-nitro-benzofuran CAS Name: 4-bromo-3-(3,4-dimethylphenyl)-2-nitrobenzofuran IUPAC Name: 4-bromo-3-(3,4-dimethylphenyl)-2-nitro-1-benzofuran Traditional Name: 4-bromo-3-(3,4-dimethylphenyl)-2-nitro-benzofuran Formula: C16H12BrNO3 MolecularWeight: 346.17538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(OC3=C2C(=CC=C3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(OC3=C2C(=CC=C3)Br)[N+](=O)[O-])C

InChI

InChI=1S/C16H12BrNO3/c1-9-6-7-11(8-10(9)2)14-15-12(17)4-3-5-13(15)21-16(14)18(19)20/h3-8H,1-2H3