2-azanyl-5-[(2-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-[3-(4-oxidanylbutoxy)propylamino]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-[(2-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-[3-(4-oxidanylbutoxy)propylamino]pyridine-3-carbonitrile Openeye Name: 2-amino-5-(2-cyano-4-nitro-phenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-(2-cyano-4-nitrophenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile Traditional Name: 2-amino-5-(2-cyano-4-nitro-phenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-nicotinonitrile Formula: C21H24N8O4 MolecularWeight: 452.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCCOCCCCO)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCCOCCCCO)N)C#N

InChI

InChI=1S/C21H24N8O4/c1-14-17(13-23)20(24)26-21(25-7-4-10-33-9-3-2-8-30)19(14)28-27-18-6-5-16(29(31)32)11-15(18)12-22/h5-6,11,30H,2-4,7-10H2,1H3,(H3,24,25,26)