3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-7-nitro-2-phenyl-1H-1,3,2-benzodiazaborin-4-one Formula: C21H18BN3O3 MolecularWeight: 371.19692

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Descriptors Computed from Structure

Canonical SMILES:

B1(NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=C(C=CC=C3C)C)C4=CC=CC=C4

Isomeric SMILES

B1(NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=C(C=CC=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18BN3O3/c1-14-7-6-8-15(2)20(14)24-21(26)18-12-11-17(25(27)28)13-19(18)23-22(24)16-9-4-3-5-10-16/h3-13,23H,1-2H3