1-(azepan-1-yl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one CAS Name: 1-(1-azepanyl)-2-(2-methoxy-5-nitrophenoxy)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(2-methoxy-5-nitrophenoxy)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(2-methoxy-5-nitro-phenoxy)propan-1-one Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H22N2O5/c1-12(16(19)17-9-5-3-4-6-10-17)23-15-11-13(18(20)21)7-8-14(15)22-2/h7-8,11-12H,3-6,9-10H2,1-2H3