(2E)-2-[1-(3-methoxy-5-methyl-1-phenyl-pyrazol-4-yl)ethylidene]-3-propan-2-ylidene-butanedioic acid

Systemtic Name: (2E)-2-[1-(3-methoxy-5-methyl-1-phenyl-pyrazol-4-yl)ethylidene]-3-propan-2-ylidene-butanedioic acid Openeye Name: (3E)-2-isopropylidene-3-[1-(3-methoxy-5-methyl-1-phenyl-pyrazol-4-yl)ethylidene]butanedioic acid CAS Name: (2E)-2-[1-(3-methoxy-5-methyl-1-phenyl-4-pyrazolyl)ethylidene]-3-propan-2-ylidenebutanedioic acid IUPAC Name: (2E)-2-[1-(3-methoxy-5-methyl-1-phenylpyrazol-4-yl)ethylidene]-3-propan-2-ylidenebutanedioic acid Traditional Name: (3E)-2-isopropylidene-3-[1-(3-methoxy-5-methyl-1-phenyl-pyrazol-4-yl)ethylidene]succinic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)OC)C(=C(C(=C(C)C)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)OC)/C(=C(\C(=C(C)C)C(=O)O)/C(=O)O)/C

InChI

InChI=1S/C20H22N2O5/c1-11(2)15(19(23)24)17(20(25)26)12(3)16-13(4)22(21-18(16)27-5)14-9-7-6-8-10-14/h6-10H,1-5H3,(H,23,24)(H,25,26)/b17-12+