methyl (3E)-2-oxidanylidene-3-[(2-prop-2-ynoxyphenyl)methylidene]-1H-indole-6-carboxylate

Systemtic Name: methyl (3E)-2-oxidanylidene-3-[(2-prop-2-ynoxyphenyl)methylidene]-1H-indole-6-carboxylate Openeye Name: methyl (3E)-2-oxo-3-[(2-prop-2-ynoxyphenyl)methylene]indoline-6-carboxylate CAS Name: (3E)-2-oxo-3-[(2-prop-2-ynoxyphenyl)methylidene]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3E)-2-oxo-3-[(2-prop-2-ynoxyphenyl)methylidene]-1H-indole-6-carboxylate Traditional Name: (3E)-2-keto-3-(2-propargyloxybenzylidene)indoline-6-carboxylic acid methyl ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CC3=CC=CC=C3OCC#C)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C\C3=CC=CC=C3OCC#C)/C(=O)N2

InChI

InChI=1S/C20H15NO4/c1-3-10-25-18-7-5-4-6-13(18)11-16-15-9-8-14(20(23)24-2)12-17(15)21-19(16)22/h1,4-9,11-12H,10H2,2H3,(H,21,22)/b16-11+