2-(3-pentadecylphenoxy)ethyl N-[4-[[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]carbamate

Systemtic Name: 2-(3-pentadecylphenoxy)ethyl N-[4-[[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]carbamate Openeye Name: 2-(3-pentadecylphenoxy)ethyl N-[4-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]carbamate CAS Name: N-[4-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]carbamic acid 2-(3-pentadecylphenoxy)ethyl ester IUPAC Name: 2-(3-pentadecylphenoxy)ethyl N-[4-[[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[5-keto-4-(4-methoxyphenyl)azo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]amino]phenyl]carbamic acid 2-(3-pentadecylphenoxy)ethyl ester Formula: C46H55Cl3N6O5 MolecularWeight: 878.3251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCOC(=O)NC2=CC=C(C=C2)NC3=NN(C(=O)C3N=NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCOC(=O)NC2=CC=C(C=C2)NC3=NN(C(=O)C3N=NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl

InChI

InChI=1S/C46H55Cl3N6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-33-18-16-19-39(30-33)59-28-29-60-46(57)51-36-22-20-35(21-23-36)50-44-42(53-52-37-24-26-38(58-2)27-25-37)45(56)55(54-44)43-40(48)31-34(47)32-41(43)49/h16,18-27,30-32,42H,3-15,17,28-29H2,1-2H3,(H,50,54)(H,51,57)