2-[4-[(Z)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)pyrazol-4-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)pyrazol-4-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-(1-benzyl-3-methyl-5-oxo-pyrazol-4-ylidene)methyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-[3-methyl-5-oxo-1-(phenylmethyl)-4-pyrazolylidene]methyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-(1-benzyl-3-methyl-5-oxopyrazol-4-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetate Formula: C20H17N2O4- MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c1-14-18(11-15-7-9-17(10-8-15)26-13-19(23)24)20(25)22(21-14)12-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,23,24)/p-1/b18-11-