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

Systemtic Name: ethyl 3-methoxy-4-oxidanidyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrazin-4-ium-2-carboxylate Openeye Name: ethyl 5-benzyl-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate CAS Name: 3-methoxy-4-oxido-6-oxo-5-(phenylmethyl)-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate Traditional Name: 5-benzyl-6-keto-3-methoxy-4-oxido-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC2=CC=CC=C2)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC2=CC=CC=C2)[O-])OC

InChI

InChI=1S/C15H16N2O5/c1-3-22-15(19)12-14(21-2)17(20)11(13(18)16-12)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,18)