ethyl 4-[5-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)iminomethyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(5-keto-1-phenyl-2-pyrazolin-3-yl)iminomethyl]-2-furyl]benzoic acid ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=NN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=NN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4/c1-2-29-23(28)17-10-8-16(9-11-17)20-13-12-19(30-20)15-24-21-14-22(27)26(25-21)18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3