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

Systemtic Name: 4-[(4Z)-3-azanyl-4-[[1-(1-methoxy-1-oxidanylidene-propan-2-yl)indol-3-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-amino-4-[[1-(2-methoxy-1-methyl-2-oxo-ethyl)indol-3-yl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-amino-4-[[1-(1-methoxy-1-oxopropan-2-yl)-3-indolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-amino-4-[[1-(1-methoxy-1-oxopropan-2-yl)indol-3-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-amino-5-keto-4-[[1-(2-keto-2-methoxy-1-methyl-ethyl)indol-3-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

CC(C(=O)OC)N1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C23H20N4O5/c1-13(23(31)32-2)26-12-15(17-5-3-4-6-19(17)26)11-18-20(24)25-27(21(18)28)16-9-7-14(8-10-16)22(29)30/h3-13H,1-2H3,(H2,24,25)(H,29,30)/b18-11-