tetradecyl 4-chloranyl-3-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]benzoate

Systemtic Name: tetradecyl 4-chloranyl-3-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]benzoate Openeye Name: tetradecyl 4-chloro-3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]benzoate CAS Name: 4-chloro-3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]benzoic acid tetradecyl ester IUPAC Name: tetradecyl 4-chloro-3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]benzoate Traditional Name: 4-chloro-3-[(5-keto-1-phenyl-3-pyrazolin-3-yl)amino]benzoic acid myristyl ester Formula: C30H40ClN3O3 MolecularWeight: 526.1099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC2=CC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC2=CC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C30H40ClN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-37-30(36)24-19-20-26(31)27(22-24)32-28-23-29(35)34(33-28)25-17-14-13-15-18-25/h13-15,17-20,22-23,32-33H,2-12,16,21H2,1H3