ethyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4-oxidanyl-benzoate Openeye Name: ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-4-hydroxy-benzoate CAS Name: 3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-4-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-4-hydroxybenzoate Traditional Name: 4-hydroxy-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]benzoic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H21N3O5/c1-4-29-21(28)14-10-11-17(25)16(12-14)19(26)22-18-13(2)23(3)24(20(18)27)15-8-6-5-7-9-15/h5-12,25H,4H2,1-3H3,(H,22,26)