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

Systemtic Name: ethyl 2-butanoyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 2-butanoyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-(5-methoxy-2,1-benzoxazol-3-yl)-2-(1-oxobutyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butanoyl-5-(5-methoxy-2,1-benzoxazol-3-yl)-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2-butyryl-5-(5-methoxyanthranil-3-yl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=C3C=C(C=CC3=NO2)OC)C(=O)OCC

Isomeric SMILES

CCCC(=O)N1C(CC(=N1)C2=C3C=C(C=CC3=NO2)OC)C(=O)OCC

InChI

InChI=1S/C18H21N3O5/c1-4-6-16(22)21-15(18(23)25-5-2)10-14(19-21)17-12-9-11(24-3)7-8-13(12)20-26-17/h7-9,15H,4-6,10H2,1-3H3