6-azanyl-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid

Systemtic Name: 6-azanyl-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Openeye Name: 6-amino-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid CAS Name: 6-amino-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid IUPAC Name: 6-amino-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Traditional Name: 6-amino-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C(O1)C(=CC(=C2N)Cl)C(=O)O

Isomeric SMILES

CC1CCCC2=C(O1)C(=CC(=C2N)Cl)C(=O)O

InChI

InChI=1S/C12H14ClNO3/c1-6-3-2-4-7-10(14)9(13)5-8(12(15)16)11(7)17-6/h5-6H,2-4,14H2,1H3,(H,15,16)