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

Systemtic Name: ethyl 4-(3-acetamido-4-bromanyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate Openeye Name: ethyl 4-(3-acetamido-4-bromo-5-oxo-4H-pyrazol-1-yl)benzoate CAS Name: 4-(3-acetamido-4-bromo-5-oxo-4H-pyrazol-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-acetamido-4-bromo-5-oxo-4H-pyrazol-1-yl)benzoate Traditional Name: 4-(3-acetamido-4-bromo-5-keto-2-pyrazolin-1-yl)benzoic acid ethyl ester Formula: C14H14BrN3O4 MolecularWeight: 368.18266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O4/c1-3-22-14(21)9-4-6-10(7-5-9)18-13(20)11(15)12(17-18)16-8(2)19/h4-7,11H,3H2,1-2H3,(H,16,17,19)