tetradecyl 4-[3-[(2-chlorophenyl)carbonylamino]-5-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: tetradecyl 4-[3-[(2-chlorophenyl)carbonylamino]-5-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: tetradecyl 4-[3-[(2-chlorobenzoyl)amino]-5-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[3-[[(2-chlorophenyl)-oxomethyl]amino]-5-oxo-1H-pyrazol-2-yl]benzoic acid tetradecyl ester IUPAC Name: tetradecyl 4-[3-[(2-chlorobenzoyl)amino]-5-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[5-[(2-chlorobenzoyl)amino]-3-keto-3-pyrazolin-1-yl]benzoic acid myristyl ester Formula: C31H40ClN3O4 MolecularWeight: 554.12

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C31H40ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-39-31(38)24-18-20-25(21-19-24)35-28(23-29(36)34-35)33-30(37)26-16-13-14-17-27(26)32/h13-14,16-21,23H,2-12,15,22H2,1H3,(H,33,37)(H,34,36)