4-[(4E)-4-[[3-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[3-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[4-(2-anilino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[4-(2-anilino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzylidene]-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid Formula: C30H28BrN3O6 MolecularWeight: 606.46382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OCC(=O)NC3=CC=CC=C3)OCC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)Br)OCC(=O)NC3=CC=CC=C3)OCC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H28BrN3O6/c1-3-8-25-23(29(36)34(33-25)22-13-11-20(12-14-22)30(37)38)15-19-16-24(31)28(26(17-19)39-4-2)40-18-27(35)32-21-9-6-5-7-10-21/h5-7,9-17H,3-4,8,18H2,1-2H3,(H,32,35)(H,37,38)/b23-15+