[2-oxidanylidene-2-[(2-phenyl-5-propyl-pyrazol-3-yl)amino]ethyl] 2,4-bis(oxidanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenyl-5-propyl-pyrazol-3-yl)amino]ethyl] 2,4-bis(oxidanyl)benzoate Openeye Name: [2-oxo-2-[(2-phenyl-5-propyl-pyrazol-3-yl)amino]ethyl] 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic acid [2-oxo-2-[(2-phenyl-5-propyl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenyl-5-propylpyrazol-3-yl)amino]ethyl] 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid [2-keto-2-[(2-phenyl-5-propyl-pyrazol-3-yl)amino]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-2-6-14-11-19(24(23-14)15-7-4-3-5-8-15)22-20(27)13-29-21(28)17-10-9-16(25)12-18(17)26/h3-5,7-12,25-26H,2,6,13H2,1H3,(H,22,27)