[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C(=CC=C2)Cl)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C(=CC=C2)Cl)N

InChI

InChI=1S/C16H21ClN2O3/c17-13-8-6-7-12(15(13)18)16(21)22-11-14(20)19-9-4-2-1-3-5-10-19/h6-8H,1-5,9-11,18H2