cyclopenta-1,3-diene; 2-(5-cyclopenta-2,4-dien-1-ylcarbonyl-1-methyl-pyrrol-2-yl)ethanoic acid; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-(5-cyclopenta-2,4-dien-1-ylcarbonyl-1-methyl-pyrrol-2-yl)ethanoic acid; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 2-[5-(cyclopenta-2,4-diene-1-carbonyl)-1-methyl-pyrrol-2-yl]acetic acid CAS Name: cyclopenta-1,3-diene; 2-[5-[1-cyclopenta-2,4-dienyl(oxo)methyl]-1-methyl-2-pyrrolyl]acetic acid; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 2-[5-(cyclopenta-2,4-diene-1-carbonyl)-1-methylpyrrol-2-yl]acetic acid; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 2-[5-(cyclopenta-2,4-diene-1-carbonyl)-1-methyl-pyrrol-2-yl]acetic acid Formula: C18H17FeNO3 MolecularWeight: 351.17748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2C=C[C-]=C2)CC(=O)O.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CN1C(=CC=C1C(=O)C2C=C[C-]=C2)CC(=O)O.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C13H12NO3.C5H5.Fe/c1-14-10(8-12(15)16)6-7-11(14)13(17)9-4-2-3-5-9;1-2-4-5-3-1;/h2,4-7,9H,8H2,1H3,(H,15,16);1-5H;/q2*-1;+2