5-azanyl-1-ethyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-azanyl-1-ethyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-amino-1-ethyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-amino-1-ethyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-amino-1-ethylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-amino-1-ethyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C9H13NO2 MolecularWeight: 167.20502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=CC=C1)N)C(=O)O

Isomeric SMILES

CCC1(CC(=CC=C1)N)C(=O)O

InChI

InChI=1S/C9H13NO2/c1-2-9(8(11)12)5-3-4-7(10)6-9/h3-5H,2,6,10H2,1H3,(H,11,12)