methyl 7-chloranyl-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate

Systemtic Name: methyl 7-chloranyl-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate Openeye Name: methyl 7-chloro-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate CAS Name: 7-chloro-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate Traditional Name: 7-chloro-6-(dimethylamino)-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid methyl ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C2=C1NCCCO2)C(=O)OC)Cl

Isomeric SMILES

CN(C)C1=C(C=C(C2=C1NCCCO2)C(=O)OC)Cl

InChI

InChI=1S/C13H17ClN2O3/c1-16(2)11-9(14)7-8(13(17)18-3)12-10(11)15-5-4-6-19-12/h7,15H,4-6H2,1-3H3