2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid

Systemtic Name: 2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid Openeye Name: 2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid CAS Name: 2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid IUPAC Name: 2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid Traditional Name: 2-butyl-1,5-diazabicyclo[2.1.0]penta-2,4-diene; 3-cyanobenzoic acid Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=NN12.C1=CC(=CC(=C1)C(=O)O)C#N

Isomeric SMILES

CCCCC1=CC2=NN12.C1=CC(=CC(=C1)C(=O)O)C#N

InChI

InChI=1S/C8H5NO2.C7H10N2/c9-5-6-2-1-3-7(4-6)8(10)11;1-2-3-4-6-5-7-8-9(6)7/h1-4H,(H,10,11);5H,2-4H2,1H3