4-[1-(3-cyanopropyl)pyrrol-2-yl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[1-(3-cyanopropyl)pyrrol-2-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-(3-cyanopropyl)pyrrol-2-yl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-(3-cyanopropyl)-2-pyrrolyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-(3-cyanopropyl)pyrrol-2-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(3-cyanopropyl)pyrrol-2-yl]-2,4-diketo-butyric acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C(=O)CC(=O)C(=O)O)CCCC#N

Isomeric SMILES

C1=CN(C(=C1)C(=O)CC(=O)C(=O)O)CCCC#N

InChI

InChI=1S/C12H12N2O4/c13-5-1-2-6-14-7-3-4-9(14)10(15)8-11(16)12(17)18/h3-4,7H,1-2,6,8H2,(H,17,18)