3-[(4E)-4-[[1-(carboxymethyl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[[1-(carboxymethyl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[1-(carboxymethyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[1-(carboxymethyl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[1-(carboxymethyl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[[1-(carboxymethyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c1-13-18(21(28)25(23-13)16-6-4-5-14(9-16)22(29)30)10-15-11-24(12-20(26)27)19-8-3-2-7-17(15)19/h2-11H,12H2,1H3,(H,26,27)(H,29,30)/b18-10+