N-[4-chloranyl-2-[(2-cyano-4-nitro-phenyl)diazenyl]-5-(2-oxidanylpropylamino)phenyl]ethanamide

Systemtic Name: N-[4-chloranyl-2-[(2-cyano-4-nitro-phenyl)diazenyl]-5-(2-oxidanylpropylamino)phenyl]ethanamide Openeye Name: N-[4-chloro-2-(2-cyano-4-nitro-phenyl)azo-5-(2-hydroxypropylamino)phenyl]acetamide CAS Name: N-[4-chloro-2-(2-cyano-4-nitrophenyl)azo-5-(2-hydroxypropylamino)phenyl]acetamide IUPAC Name: N-[4-chloro-2-[(2-cyano-4-nitrophenyl)diazenyl]-5-(2-hydroxypropylamino)phenyl]acetamide Traditional Name: N-[4-chloro-2-(2-cyano-4-nitro-phenyl)azo-5-(2-hydroxypropylamino)phenyl]acetamide Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)O

Isomeric SMILES

CC(CNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)O

InChI

InChI=1S/C18H17ClN6O4/c1-10(26)9-21-16-7-17(22-11(2)27)18(6-14(16)19)24-23-15-4-3-13(25(28)29)5-12(15)8-20/h3-7,10,21,26H,9H2,1-2H3,(H,22,27)