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

Systemtic Name: 2-azanyl-5-[(2-chloranyl-6-cyano-4-nitro-phenyl)diazenyl]-4-methyl-6-[3-(4-oxidanylbutoxy)propylamino]pyridine-3-carbonitrile Openeye Name: 2-amino-5-(2-chloro-6-cyano-4-nitro-phenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-(2-chloro-6-cyano-4-nitrophenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile Traditional Name: 2-amino-5-(2-chloro-6-cyano-4-nitro-phenyl)azo-6-[3-(4-hydroxybutoxy)propylamino]-4-methyl-nicotinonitrile Formula: C21H23ClN8O4 MolecularWeight: 486.91152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)NCCCOCCCCO)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)NCCCOCCCCO)N)C#N

InChI

InChI=1S/C21H23ClN8O4/c1-13-16(12-24)20(25)27-21(26-5-4-8-34-7-3-2-6-31)18(13)28-29-19-14(11-23)9-15(30(32)33)10-17(19)22/h9-10,31H,2-8H2,1H3,(H3,25,26,27)