ethyl 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxylate

Systemtic Name: ethyl 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxylate Openeye Name: ethyl 5-isobutyl-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate CAS Name: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate Traditional Name: 5-isobutyl-6-keto-3-methoxy-4-oxido-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC(C)C)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC(C)C)[O-])OC

InChI

InChI=1S/C12H18N2O5/c1-5-19-12(16)9-11(18-4)14(17)8(6-7(2)3)10(15)13-9/h7H,5-6H2,1-4H3,(H,13,15)