4-[(4Z)-4-[[3-(1-methoxy-1-oxidanylidene-propan-2-yl)-3H-inden-1-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[3-(1-methoxy-1-oxidanylidene-propan-2-yl)-3H-inden-1-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[3-(2-methoxy-1-methyl-2-oxo-ethyl)-3H-inden-1-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[3-(1-methoxy-1-oxopropan-2-yl)-3H-inden-1-yl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[3-(1-methoxy-1-oxopropan-2-yl)-3H-inden-1-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-4-[[3-(2-keto-2-methoxy-1-methyl-ethyl)-3H-inden-1-yl]methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(C3=CC=CC=C32)C(C)C(=O)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(C3=CC=CC=C32)C(C)C(=O)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H22N2O5/c1-14(25(31)32-3)21-12-17(19-6-4-5-7-20(19)21)13-22-15(2)26-27(23(22)28)18-10-8-16(9-11-18)24(29)30/h4-14,21H,1-3H3,(H,29,30)/b22-13-