ethyl 4-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)benzoate

Systemtic Name: ethyl 4-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)benzoate Openeye Name: ethyl 4-(3-acetamido-5-oxo-4H-pyrazol-1-yl)benzoate CAS Name: 4-(3-acetamido-5-oxo-4H-pyrazol-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-acetamido-5-oxo-4H-pyrazol-1-yl)benzoate Traditional Name: 4-(3-acetamido-5-keto-2-pyrazolin-1-yl)benzoic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)NC(=O)C

InChI

InChI=1S/C14H15N3O4/c1-3-21-14(20)10-4-6-11(7-5-10)17-13(19)8-12(16-17)15-9(2)18/h4-7H,3,8H2,1-2H3,(H,15,16,18)