3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one

Systemtic Name: 3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 3-ethyl-6-nitro-2-phenyl-1H-1,3,2-benzodiazaborin-4-one Formula: C15H14BN3O3 MolecularWeight: 295.10096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC)C3=CC=CC=C3

Isomeric SMILES

B1(NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC)C3=CC=CC=C3

InChI

InChI=1S/C15H14BN3O3/c1-2-18-15(20)13-10-12(19(21)22)8-9-14(13)17-16(18)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3