ethanedioic acid; 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone

Systemtic Name: ethanedioic acid; 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone; oxalic acid CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone; oxalic acid IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone; oxalic acid Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(ethylamino)ethanone; oxalic acid Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)C1=C(C(=C(N1)C)C(=O)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCC(=O)C1=C(C(=C(N1)C)C(=O)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2O2.C2H2O4/c1-5-13-6-10(16)12-7(2)11(9(4)15)8(3)14-12;3-1(4)2(5)6/h13-14H,5-6H2,1-4H3;(H,3,4)(H,5,6)