4-[(4Z)-3-acetamido-4-[[1-(1-ethoxy-1-oxidanylidene-propan-2-yl)indol-3-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-acetamido-4-[[1-(1-ethoxy-1-oxidanylidene-propan-2-yl)indol-3-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-acetamido-4-[[1-(2-ethoxy-1-methyl-2-oxo-ethyl)indol-3-yl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-acetamido-4-[[1-(1-ethoxy-1-oxopropan-2-yl)-3-indolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-acetamido-4-[[1-(1-ethoxy-1-oxopropan-2-yl)indol-3-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-acetamido-4-[[1-(2-ethoxy-2-keto-1-methyl-ethyl)indol-3-yl]methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C)N1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)NC(=O)C

InChI

InChI=1S/C26H24N4O6/c1-4-36-26(35)15(2)29-14-18(20-7-5-6-8-22(20)29)13-21-23(27-16(3)31)28-30(24(21)32)19-11-9-17(10-12-19)25(33)34/h5-15H,4H2,1-3H3,(H,33,34)(H,27,28,31)/b21-13-