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

Systemtic Name: 4-[(4Z)-3-azanyl-4-[[1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-amino-4-[[1-(2-methoxy-2-oxo-ethyl)indol-3-yl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-amino-4-[[1-(2-methoxy-2-oxoethyl)-3-indolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-amino-4-[[1-(2-methoxy-2-oxoethyl)indol-3-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-amino-5-keto-4-[[1-(2-keto-2-methoxy-ethyl)indol-3-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C22H18N4O5/c1-31-19(27)12-25-11-14(16-4-2-3-5-18(16)25)10-17-20(23)24-26(21(17)28)15-8-6-13(7-9-15)22(29)30/h2-11H,12H2,1H3,(H2,23,24)(H,29,30)/b17-10-