N-[5-azanyl-4-butoxy-2-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]ethanamide

Systemtic Name: N-[5-azanyl-4-butoxy-2-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]ethanamide Openeye Name: N-[5-amino-4-butoxy-2-(2-chloro-4-nitro-phenyl)azo-phenyl]acetamide CAS Name: N-[5-amino-4-butoxy-2-(2-chloro-4-nitrophenyl)azophenyl]acetamide IUPAC Name: N-[5-amino-4-butoxy-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]acetamide Traditional Name: N-[5-amino-4-butoxy-2-(2-chloro-4-nitro-phenyl)azo-phenyl]acetamide Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C)N

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C)N

InChI

InChI=1S/C18H20ClN5O4/c1-3-4-7-28-18-10-17(16(9-14(18)20)21-11(2)25)23-22-15-6-5-12(24(26)27)8-13(15)19/h5-6,8-10H,3-4,7,20H2,1-2H3,(H,21,25)