4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-3-fluoro-benzonitrile Formula: C16H13ClFN3O2 MolecularWeight: 333.744723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)C#N)F)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=C(C=C(C=C1)C#N)F)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClFN3O2/c1-20(9-12-3-2-11(8-19)6-16(12)18)10-13-7-14(21(22)23)4-5-15(13)17/h2-7H,9-10H2,1H3