4-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrol-1-yl]-2-propyl-1H-imidazole-5-carboxylate

Systemtic Name: 4-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrol-1-yl]-2-propyl-1H-imidazole-5-carboxylate Openeye Name: 4-[3-(2-hydroxy-1-methyl-2-oxo-ethyl)pyrrol-1-yl]-2-propyl-1H-imidazole-5-carboxylate CAS Name: 4-[3-(1-hydroxy-1-oxopropan-2-yl)-1-pyrrolyl]-2-propyl-1H-imidazole-5-carboxylate IUPAC Name: 4-[3-(1-hydroxy-1-oxopropan-2-yl)pyrrol-1-yl]-2-propyl-1H-imidazole-5-carboxylate Traditional Name: 4-[3-(2-hydroxy-2-keto-1-methyl-ethyl)pyrrol-1-yl]-2-propyl-1H-imidazole-5-carboxylate Formula: C14H16N3O4- MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C(=O)[O-])N2C=CC(=C2)C(C)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1)C(=O)[O-])N2C=CC(=C2)C(C)C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-3-4-10-15-11(14(20)21)12(16-10)17-6-5-9(7-17)8(2)13(18)19/h5-8H,3-4H2,1-2H3,(H,15,16)(H,18,19)(H,20,21)/p-1