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

Systemtic Name: 3-ethyl-6-nitro-2-oxidanyl-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 3-ethyl-2-hydroxy-6-nitro-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 3-ethyl-2-hydroxy-6-nitro-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 3-ethyl-2-hydroxy-6-nitro-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 3-ethyl-2-hydroxy-6-nitro-1H-1,3,2-benzodiazaborin-4-one Formula: C9H10BN3O4 MolecularWeight: 235.0044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10BN3O4/c1-2-12-9(14)7-5-6(13(16)17)3-4-8(7)11-10(12)15/h3-5,11,15H,2H2,1H3