sodium 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

Systemtic Name: sodium 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate Openeye Name: sodium 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate CAS Name: sodium 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate IUPAC Name: sodium 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate Traditional Name: sodium 3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)propionate Formula: C12H16NNaO4 MolecularWeight: 261.24951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)[O-])C.[Na+]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H17NO4.Na/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15;/h13H,4-6H2,1-3H3,(H,14,15);/q;+1/p-1