2-chloranyl-5-[4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[4-[4-(cyanomethoxy)-3-methoxy-benzylidene]-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)OCC#N

InChI

InChI=1S/C21H16ClN3O5/c1-12-15(9-13-3-6-18(30-8-7-23)19(10-13)29-2)20(26)25(24-12)14-4-5-17(22)16(11-14)21(27)28/h3-6,9-11,24H,1,8H2,2H3,(H,27,28)