4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(dimethylamino)-4-methylpentyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-(dimethylamino)-4-methylpentyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-benzonitrile Formula: C15H22N4O2 MolecularWeight: 290.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(C)CC(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C15H22N4O2/c1-11(2)7-13(18(3)4)10-17-14-6-5-12(9-16)8-15(14)19(20)21/h5-6,8,11,13,17H,7,10H2,1-4H3