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

Systemtic Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Openeye Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one CAS Name: 1-(1-azocanyl)-2-(3-methyl-4-nitrophenoxy)-1-butanone IUPAC Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one Traditional Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCCCCC1)OC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCCCCCC1)OC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H26N2O4/c1-3-17(18(21)19-11-7-5-4-6-8-12-19)24-15-9-10-16(20(22)23)14(2)13-15/h9-10,13,17H,3-8,11-12H2,1-2H3