2-(2-chloranyl-4-nitro-phenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one CAS Name: 2-(2-chloro-4-nitrophenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-1-propanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCN(CC1)C)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C(=O)N1CCCN(CC1)C)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H22ClN3O4/c1-16(2,15(21)19-8-4-7-18(3)9-10-19)24-14-6-5-12(20(22)23)11-13(14)17/h5-6,11H,4,7-10H2,1-3H3