2-[[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]methylidene]propanedioic acid Openeye Name: 2-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylene]propanedioic acid CAS Name: 2-[[1-methyl-4-(1-oxo-2-phenylethyl)-2-pyrrolyl]methylidene]propanedioic acid IUPAC Name: 2-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylidene]propanedioic acid Traditional Name: 2-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylene]malonic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C=C(C(=O)O)C(=O)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=C1C=C(C(=O)O)C(=O)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO5/c1-18-10-12(15(19)7-11-5-3-2-4-6-11)8-13(18)9-14(16(20)21)17(22)23/h2-6,8-10H,7H2,1H3,(H,20,21)(H,22,23)