N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-(hexan-2-ylamino)-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-(hexan-2-ylamino)-4-methoxy-phenyl]ethanamide Openeye Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-4-methoxy-5-(1-methylpentylamino)phenyl]acetamide CAS Name: N-[2-(2-bromo-4,6-dinitrophenyl)azo-5-(hexan-2-ylamino)-4-methoxyphenyl]acetamide IUPAC Name: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(hexan-2-ylamino)-4-methoxyphenyl]acetamide Traditional Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-4-methoxy-5-(1-methylpentylamino)phenyl]acetamide Formula: C21H25BrN6O6 MolecularWeight: 537.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C21H25BrN6O6/c1-5-6-7-12(2)23-18-10-16(24-13(3)29)17(11-20(18)34-4)25-26-21-15(22)8-14(27(30)31)9-19(21)28(32)33/h8-12,23H,5-7H2,1-4H3,(H,24,29)