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

Systemtic Name: 6-azanyl-5-[(2-chloranyl-4-nitro-phenyl)diazenyl]-4-methyl-2-[3-(4-oxidanylbutoxy)propylamino]pyridine-3-carbonitrile Openeye Name: 6-amino-5-(2-chloro-4-nitro-phenyl)azo-2-[3-(4-hydroxybutoxy)propylamino]-4-methyl-pyridine-3-carbonitrile CAS Name: 6-amino-5-(2-chloro-4-nitrophenyl)azo-2-[3-(4-hydroxybutoxy)propylamino]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile Traditional Name: 6-amino-5-(2-chloro-4-nitro-phenyl)azo-2-[3-(4-hydroxybutoxy)propylamino]-4-methyl-nicotinonitrile Formula: C20H24ClN7O4 MolecularWeight: 461.90206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN7O4/c1-13-15(12-22)20(24-7-4-10-32-9-3-2-8-29)25-19(23)18(13)27-26-17-6-5-14(28(30)31)11-16(17)21/h5-6,11,29H,2-4,7-10H2,1H3,(H3,23,24,25)