4-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]benzoic acid

Systemtic Name: 4-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]benzoic acid Openeye Name: 4-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]benzoic acid CAS Name: 4-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]benzoic acid IUPAC Name: 4-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]benzoic acid Traditional Name: 4-[(3E)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]benzoic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(NC=C1)/C=C/2\C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O4/c1-27-18-9-10-22-17(18)11-15-19-14(3-2-4-16(19)23-20(15)24)12-5-7-13(8-6-12)21(25)26/h2-11,22H,1H3,(H,23,24)(H,25,26)/b15-11+