4-[(4Z)-4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C21H19BrN2O5/c1-4-29-19-17(22)10-13(11-18(19)28-3)9-16-12(2)23-24(20(16)25)15-7-5-14(6-8-15)21(26)27/h5-11,23H,2,4H2,1,3H3,(H,26,27)/b16-9-