[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C16H21ClN2O3/c1-11(15(20)19-8-4-2-3-5-9-19)22-16(21)13-7-6-12(17)10-14(13)18/h6-7,10-11H,2-5,8-9,18H2,1H3