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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CCCCCCC2)[N+](=O)[O-]

InChI

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