ethyl 2-ethanoyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 2-ethanoyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 2-acetyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate CAS Name: 2-acetyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2-acetyl-5-(5-methoxyanthranil-3-yl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=NN1C(=O)C)C2=C3C=C(C=CC3=NO2)OC

Isomeric SMILES

CCOC(=O)C1CC(=NN1C(=O)C)C2=C3C=C(C=CC3=NO2)OC

InChI

InChI=1S/C16H17N3O5/c1-4-23-16(21)14-8-13(17-19(14)9(2)20)15-11-7-10(22-3)5-6-12(11)18-24-15/h5-7,14H,4,8H2,1-3H3