butyl 2-[(4Z)-3-oxidanylidene-4-[(1H-pyrazol-4-ylamino)methylidene]cyclohexa-1,5-dien-1-yl]oxypropanoate

Systemtic Name: butyl 2-[(4Z)-3-oxidanylidene-4-[(1H-pyrazol-4-ylamino)methylidene]cyclohexa-1,5-dien-1-yl]oxypropanoate Openeye Name: butyl 2-[(4Z)-3-oxo-4-[(1H-pyrazol-4-ylamino)methylene]cyclohexa-1,5-dien-1-yl]oxypropanoate CAS Name: 2-[[(4Z)-3-oxo-4-[(1H-pyrazol-4-ylamino)methylidene]-1-cyclohexa-1,5-dienyl]oxy]propanoic acid butyl ester IUPAC Name: butyl 2-[(4Z)-3-oxo-4-[(1H-pyrazol-4-ylamino)methylidene]cyclohexa-1,5-dien-1-yl]oxypropanoate Traditional Name: 2-[(4Z)-3-keto-4-[(1H-pyrazol-4-ylamino)methylene]cyclohexa-1,5-dien-1-yl]oxypropionic acid butyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC1=CC(=O)C(=CNC2=CNN=C2)C=C1

Isomeric SMILES

CCCCOC(=O)C(C)OC1=CC(=O)/C(=C\NC2=CNN=C2)/C=C1

InChI

InChI=1S/C17H21N3O4/c1-3-4-7-23-17(22)12(2)24-15-6-5-13(16(21)8-15)9-18-14-10-19-20-11-14/h5-6,8-12,18H,3-4,7H2,1-2H3,(H,19,20)/b13-9-