5-methoxycarbonyl-3-(2-oxidanylidenepropyl)imidazole-4-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-3-(2-oxidanylidenepropyl)imidazole-4-carboxylic acid Openeye Name: 3-acetonyl-5-methoxycarbonyl-imidazole-4-carboxylic acid CAS Name: 5-methoxycarbonyl-3-(2-oxopropyl)-4-imidazolecarboxylic acid IUPAC Name: 5-methoxycarbonyl-3-(2-oxopropyl)imidazole-4-carboxylic acid Traditional Name: 3-acetonyl-5-carbomethoxy-imidazole-4-carboxylic acid Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC(=C1C(=O)O)C(=O)OC

Isomeric SMILES

CC(=O)CN1C=NC(=C1C(=O)O)C(=O)OC

InChI

InChI=1S/C9H10N2O5/c1-5(12)3-11-4-10-6(9(15)16-2)7(11)8(13)14/h4H,3H2,1-2H3,(H,13,14)