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

Systemtic Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxidanylidene-propan-2-yl)-2-methyl-indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[1-(2-methoxy-1-methyl-2-oxo-ethyl)-2-methyl-indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxopropan-2-yl)-2-methyl-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxopropan-2-yl)-2-methylindol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-4-[[1-(2-keto-2-methoxy-1-methyl-ethyl)-2-methyl-indol-3-yl]methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(C)C(=O)OC)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(C)C(=O)OC)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H23N3O5/c1-14-20(23(29)28(26-14)18-11-9-17(10-12-18)24(30)31)13-21-15(2)27(16(3)25(32)33-4)22-8-6-5-7-19(21)22/h5-13,16H,1-4H3,(H,30,31)/b20-13-