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

Systemtic Name: 4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]benzonitrile CAS Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]benzonitrile IUPAC Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]benzonitrile Traditional Name: 4-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]benzonitrile Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2/c1-19(10-13-4-2-12(9-18)3-5-13)11-14-8-15(20(21)22)6-7-16(14)17/h2-8H,10-11H2,1H3