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

Systemtic Name: 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]prop-2-ynyl]propanedioic acid Openeye Name: 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]prop-2-ynyl]propanedioic acid CAS Name: 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]propanedioic acid IUPAC Name: 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]propanedioic acid Traditional Name: 2-[3-[(3E)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]prop-2-ynyl]malonic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC=C3NC2=O)C#CCC(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6/c1-28-16-8-9-21-15(16)10-13-17-11(5-3-7-14(17)22-18(13)23)4-2-6-12(19(24)25)20(26)27/h3,5,7-10,12,21H,6H2,1H3,(H,22,23)(H,24,25)(H,26,27)/b13-10+