5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutanoic acid

Systemtic Name: 5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutanoic acid Openeye Name: 5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutanoic acid CAS Name: 5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutanoic acid IUPAC Name: 5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutanoic acid Traditional Name: 5-methyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene; 2-methylbutyric acid Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)O.CC1=C2C(=CC=C1)N2

Isomeric SMILES

CCC(C)C(=O)O.CC1=C2C(=CC=C1)N2

InChI

InChI=1S/C7H7N.C5H10O2/c1-5-3-2-4-6-7(5)8-6;1-3-4(2)5(6)7/h2-4,8H,1H3;4H,3H2,1-2H3,(H,6,7)