2-(oxidanylidenemethylidene)-7-pyrrol-1-yl-heptanoic acid

Systemtic Name: 2-(oxidanylidenemethylidene)-7-pyrrol-1-yl-heptanoic acid Openeye Name: 2-(oxomethylene)-7-pyrrol-1-yl-heptanoic acid CAS Name: 2-(oxomethylidene)-7-(1-pyrrolyl)heptanoic acid IUPAC Name: 2-(oxomethylidene)-7-pyrrol-1-ylheptanoic acid Traditional Name: 3-keto-2-(5-pyrrol-1-ylpentyl)acrylic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCCCCC(=C=O)C(=O)O

Isomeric SMILES

C1=CN(C=C1)CCCCCC(=C=O)C(=O)O

InChI

InChI=1S/C12H15NO3/c14-10-11(12(15)16)6-2-1-3-7-13-8-4-5-9-13/h4-5,8-9H,1-3,6-7H2,(H,15,16)