2-[[4-(4-cyanobutan-2-ylamino)-2-methyl-phenyl]diazenyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-(4-cyanobutan-2-ylamino)-2-methyl-phenyl]diazenyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(3-cyano-1-methyl-propyl)amino]-2-methyl-phenyl]azo-5-nitro-benzonitrile CAS Name: 2-[4-(4-cyanobutan-2-ylamino)-2-methylphenyl]azo-5-nitrobenzonitrile IUPAC Name: 2-[[4-(4-cyanobutan-2-ylamino)-2-methylphenyl]diazenyl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(3-cyano-1-methyl-propyl)amino]-2-methyl-phenyl]azo-5-nitro-benzonitrile Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C)CCC#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(C)CCC#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H18N6O2/c1-13-10-16(22-14(2)4-3-9-20)5-7-18(13)23-24-19-8-6-17(25(26)27)11-15(19)12-21/h5-8,10-11,14,22H,3-4H2,1-2H3