2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride

Systemtic Name: 2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride Openeye Name: 2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride CAS Name: 2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride IUPAC Name: 2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride Traditional Name: 2-(4-aminophenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one hydrochloride Formula: C11H12ClN3O MolecularWeight: 237.68548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C(=O)NN=C2C3=CC=C(C=C3)N.Cl

Isomeric SMILES

C1C2C1C(=O)NN=C2C3=CC=C(C=C3)N.Cl

InChI

InChI=1S/C11H11N3O.ClH/c12-7-3-1-6(2-4-7)10-8-5-9(8)11(15)14-13-10;/h1-4,8-9H,5,12H2,(H,14,15);1H