N-[5-(butan-2-ylamino)-2-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]ethanamide

Systemtic Name: N-[5-(butan-2-ylamino)-2-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-phenyl)azo-5-(sec-butylamino)phenyl]acetamide CAS Name: N-[5-(butan-2-ylamino)-2-(2-chloro-4-nitrophenyl)azophenyl]acetamide IUPAC Name: N-[5-(butan-2-ylamino)-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]acetamide Traditional Name: N-[2-(2-chloro-4-nitro-phenyl)azo-5-(sec-butylamino)phenyl]acetamide Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C

Isomeric SMILES

CCC(C)NC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C

InChI

InChI=1S/C18H20ClN5O3/c1-4-11(2)20-13-5-7-17(18(9-13)21-12(3)25)23-22-16-8-6-14(24(26)27)10-15(16)19/h5-11,20H,4H2,1-3H3,(H,21,25)