1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitrophenoxy)-1-butanone IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one Traditional Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-4-16(17(21)19-9-5-8-18(3)10-11-19)24-14-6-7-15(20(22)23)13(2)12-14/h6-7,12,16H,4-5,8-11H2,1-3H3