4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-3-nitro-benzonitrile Formula: C15H11ClFN3O2 MolecularWeight: 319.718143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClFN3O2/c1-19(9-11-12(16)3-2-4-13(11)17)14-6-5-10(8-18)7-15(14)20(21)22/h2-7H,9H2,1H3