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

Systemtic Name: dimethyl 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]prop-2-ynyl]propanedioate Openeye Name: dimethyl 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]prop-2-ynyl]propanedioate CAS Name: 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]propanedioate Traditional Name: 2-[3-[(3E)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]prop-2-ynyl]malonic acid dimethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-28-18-10-11-23-17(18)12-15-19-13(7-5-9-16(19)24-20(15)25)6-4-8-14(21(26)29-2)22(27)30-3/h5,7,9-12,14,23H,8H2,1-3H3,(H,24,25)/b15-12+