2-benzamido-2-(3-oxidanylidene-3-prop-2-ynoxy-propyl)penta-3,4-dienoic acid

Systemtic Name: 2-benzamido-2-(3-oxidanylidene-3-prop-2-ynoxy-propyl)penta-3,4-dienoic acid Openeye Name: 2-benzamido-2-(3-oxo-3-prop-2-ynoxy-propyl)penta-3,4-dienoic acid CAS Name: 2-benzamido-2-(3-oxo-3-prop-2-ynoxypropyl)penta-3,4-dienoic acid IUPAC Name: 2-benzamido-2-(3-oxo-3-prop-2-ynoxypropyl)penta-3,4-dienoic acid Traditional Name: 2-benzamido-2-(3-keto-3-propargyloxy-propyl)penta-3,4-dienoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CC(CCC(=O)OCC#C)(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

C=C=CC(CCC(=O)OCC#C)(C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H17NO5/c1-3-11-18(17(22)23,12-10-15(20)24-13-4-2)19-16(21)14-8-6-5-7-9-14/h2,5-9,11H,1,10,12-13H2,(H,19,21)(H,22,23)