N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoranyl-3-nitro-aniline

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoranyl-3-nitro-aniline Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoro-3-nitro-aniline CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoro-3-nitroaniline IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoro-3-nitroaniline Traditional Name: 1-(3,4-dimethylphenyl)ethyl-(4-fluoro-3-nitro-phenyl)amine Formula: C16H17FN2O2 MolecularWeight: 288.316783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H17FN2O2/c1-10-4-5-13(8-11(10)2)12(3)18-14-6-7-15(17)16(9-14)19(20)21/h4-9,12,18H,1-3H3