1-[1-(4-methoxyphenyl)-3-nitro-butan-2-yl]-4-methyl-benzene

Systemtic Name: 1-[1-(4-methoxyphenyl)-3-nitro-butan-2-yl]-4-methyl-benzene Openeye Name: 1-[1-[(4-methoxyphenyl)methyl]-2-nitro-propyl]-4-methyl-benzene CAS Name: 1-[1-(4-methoxyphenyl)-3-nitrobutan-2-yl]-4-methylbenzene IUPAC Name: 1-[1-(4-methoxyphenyl)-3-nitrobutan-2-yl]-4-methylbenzene Traditional Name: 1-methyl-4-(2-nitro-1-p-anisyl-propyl)benzene Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)C(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO3/c1-13-4-8-16(9-5-13)18(14(2)19(20)21)12-15-6-10-17(22-3)11-7-15/h4-11,14,18H,12H2,1-3H3