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

Systemtic Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one Openeye Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: 1-(1-azocanyl)-2-(3-methyl-4-nitrophenoxy)-1-propanone IUPAC Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: 1-(azocan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-13-12-15(8-9-16(13)19(21)22)23-14(2)17(20)18-10-6-4-3-5-7-11-18/h8-9,12,14H,3-7,10-11H2,1-2H3