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

Systemtic Name: 4-[(4Z)-4-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[1-(2-amino-2-oxo-ethyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[1-(2-amino-2-oxoethyl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[1-(2-amino-2-keto-ethyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-13-18(21(28)26(24-13)16-8-6-14(7-9-16)22(29)30)10-15-11-25(12-20(23)27)19-5-3-2-4-17(15)19/h2-11H,12H2,1H3,(H2,23,27)(H,29,30)/b18-10-