6-azanyl-7-chloranyl-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid

Systemtic Name: 6-azanyl-7-chloranyl-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid Openeye Name: 6-amino-7-chloro-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid CAS Name: 6-amino-7-chloro-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid IUPAC Name: 6-amino-7-chloro-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid Traditional Name: 6-amino-7-chloro-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=C(O1)C(=CC(=C2N)Cl)C(=O)O)C

Isomeric SMILES

CC1(CCCC2=C(O1)C(=CC(=C2N)Cl)C(=O)O)C

InChI

InChI=1S/C13H16ClNO3/c1-13(2)5-3-4-7-10(15)9(14)6-8(12(16)17)11(7)18-13/h6H,3-5,15H2,1-2H3,(H,16,17)