2-(azepan-1-yl)ethyl N-(5-chloranyl-2-methoxy-4-nitro-phenyl)carbamate

Systemtic Name: 2-(azepan-1-yl)ethyl N-(5-chloranyl-2-methoxy-4-nitro-phenyl)carbamate Openeye Name: 2-(azepan-1-yl)ethyl N-(5-chloro-2-methoxy-4-nitro-phenyl)carbamate CAS Name: N-(5-chloro-2-methoxy-4-nitrophenyl)carbamic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl N-(5-chloro-2-methoxy-4-nitrophenyl)carbamate Traditional Name: N-(5-chloro-2-methoxy-4-nitro-phenyl)carbamic acid 2-(azepan-1-yl)ethyl ester Formula: C16H22ClN3O5 MolecularWeight: 371.81598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)OCCN2CCCCCC2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)OCCN2CCCCCC2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O5/c1-24-15-11-14(20(22)23)12(17)10-13(15)18-16(21)25-9-8-19-6-4-2-3-5-7-19/h10-11H,2-9H2,1H3,(H,18,21)