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

Systemtic Name: N-[2-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-5-(2-cyanoethylamino)-4-methoxy-phenyl]ethanamide Openeye Name: N-[2-(2-chloro-4,6-dinitro-phenyl)azo-5-(2-cyanoethylamino)-4-methoxy-phenyl]acetamide CAS Name: N-[2-(2-chloro-4,6-dinitrophenyl)azo-5-(2-cyanoethylamino)-4-methoxyphenyl]acetamide IUPAC Name: N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(2-cyanoethylamino)-4-methoxyphenyl]acetamide Traditional Name: N-[2-(2-chloro-4,6-dinitro-phenyl)azo-5-(2-cyanoethylamino)-4-methoxy-phenyl]acetamide Formula: C18H16ClN7O6 MolecularWeight: 461.81594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC#N

InChI

InChI=1S/C18H16ClN7O6/c1-10(27)22-13-8-15(21-5-3-4-20)17(32-2)9-14(13)23-24-18-12(19)6-11(25(28)29)7-16(18)26(30)31/h6-9,21H,3,5H2,1-2H3,(H,22,27)