N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-(1-cyanoethylamino)-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-(1-cyanoethylamino)-4-methoxy-phenyl]ethanamide Openeye Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-(1-cyanoethylamino)-4-methoxy-phenyl]acetamide CAS Name: N-[2-(2-bromo-4,6-dinitrophenyl)azo-5-(1-cyanoethylamino)-4-methoxyphenyl]acetamide IUPAC Name: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(1-cyanoethylamino)-4-methoxyphenyl]acetamide Traditional Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-(1-cyanoethylamino)-4-methoxy-phenyl]acetamide Formula: C18H16BrN7O6 MolecularWeight: 506.26694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)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

CC(C#N)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/C18H16BrN7O6/c1-9(8-20)21-15-6-13(22-10(2)27)14(7-17(15)32-3)23-24-18-12(19)4-11(25(28)29)5-16(18)26(30)31/h4-7,9,21H,1-3H3,(H,22,27)