(2-oxidanylideneazepan-3-yl) 3-azanyl-4-chloranyl-benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 3-azanyl-4-chloranyl-benzoate Openeye Name: (2-oxoazepan-3-yl) 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (2-ketoazepan-3-yl) ester Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H15ClN2O3/c14-9-5-4-8(7-10(9)15)13(18)19-11-3-1-2-6-16-12(11)17/h4-5,7,11H,1-3,6,15H2,(H,16,17)