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

Systemtic Name: 2-[[1-methyl-4-(phenylcarbonyl)pyrrol-2-yl]methylidene]propanedioic acid Openeye Name: 2-[(4-benzoyl-1-methyl-pyrrol-2-yl)methylene]propanedioic acid CAS Name: 2-[(4-benzoyl-1-methyl-2-pyrrolyl)methylidene]propanedioic acid IUPAC Name: 2-[(4-benzoyl-1-methylpyrrol-2-yl)methylidene]propanedioic acid Traditional Name: 2-[(4-benzoyl-1-methyl-pyrrol-2-yl)methylene]malonic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c1-17-9-11(14(18)10-5-3-2-4-6-10)7-12(17)8-13(15(19)20)16(21)22/h2-9H,1H3,(H,19,20)(H,21,22)