methyl 9-azanyl-7-chloranyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 9-azanyl-7-chloranyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 9-amino-7-chloro-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-amino-7-chloro-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 9-amino-7-chloro-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-amino-7-chloro-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC(=CC(=C2OCC1)N)Cl

Isomeric SMILES

COC(=O)C1=CC2=CC(=CC(=C2OCC1)N)Cl

InChI

InChI=1S/C12H12ClNO3/c1-16-12(15)7-2-3-17-11-8(4-7)5-9(13)6-10(11)14/h4-6H,2-3,14H2,1H3