4-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(E)-3-(2-furyl)prop-2-enylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-[(E)-3-(2-furyl)prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C18H13N2O4- MolecularWeight: 321.30682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CO2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H14N2O4/c1-12-16(6-2-4-15-5-3-11-24-15)17(21)20(19-12)14-9-7-13(8-10-14)18(22)23/h2-11H,1H3,(H,22,23)/p-1/b4-2+,16-6-