methyl 1,3,3-tris(chloranyl)-2-oxidanylidene-4,5-dihydro-1-benzazepine-7-carboxylate

Systemtic Name: methyl 1,3,3-tris(chloranyl)-2-oxidanylidene-4,5-dihydro-1-benzazepine-7-carboxylate Openeye Name: methyl 1,3,3-trichloro-2-oxo-4,5-dihydro-1-benzazepine-7-carboxylate CAS Name: 1,3,3-trichloro-2-oxo-4,5-dihydro-1-benzazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 1,3,3-trichloro-2-oxo-4,5-dihydro-1-benzazepine-7-carboxylate Traditional Name: 1,3,3-trichloro-2-keto-4,5-dihydro-1-benzazepine-7-carboxylic acid methyl ester Formula: C12H10Cl3NO3 MolecularWeight: 322.5717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=O)C(CC2)(Cl)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=O)C(CC2)(Cl)Cl)Cl

InChI

InChI=1S/C12H10Cl3NO3/c1-19-10(17)8-2-3-9-7(6-8)4-5-12(13,14)11(18)16(9)15/h2-3,6H,4-5H2,1H3