5-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoic acid

Systemtic Name: 5-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoic acid Openeye Name: 5-[3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]pent-4-ynoic acid CAS Name: 5-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]-4-pentynoic acid IUPAC Name: 5-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]pent-4-ynoic acid Traditional Name: 5-[2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]pent-4-ynoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4/c1-25-16-9-10-20-15(16)11-13-18-12(5-2-3-8-17(22)23)6-4-7-14(18)21-19(13)24/h4,6-7,9-11,20H,3,8H2,1H3,(H,21,24)(H,22,23)