4-[(4Z)-3-azanyl-4-[[1-(1-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-1-oxopropan-2-yl)-3-indolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-amino-4-[[1-(1-ethoxy-1-oxopropan-2-yl)indol-3-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-amino-4-[[1-(2-ethoxy-2-keto-1-methyl-ethyl)indol-3-yl]methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(C)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/C24H22N4O5/c1-3-33-24(32)14(2)27-13-16(18-6-4-5-7-20(18)27)12-19-21(25)26-28(22(19)29)17-10-8-15(9-11-17)23(30)31/h4-14H,3H2,1-2H3,(H2,25,26)(H,30,31)/b19-12-