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

Systemtic Name: ethyl 5-(1H-indol-3-ylmethyl)-3-methoxy-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxylate Openeye Name: ethyl 5-(1H-indol-3-ylmethyl)-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate CAS Name: 5-(1H-indol-3-ylmethyl)-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-indol-3-ylmethyl)-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate Traditional Name: 5-(1H-indol-3-ylmethyl)-6-keto-3-methoxy-4-oxido-1H-pyrazin-4-ium-2-carboxylic acid ethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC2=CNC3=CC=CC=C32)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=O)N1)CC2=CNC3=CC=CC=C32)[O-])OC

InChI

InChI=1S/C17H17N3O5/c1-3-25-17(22)14-16(24-2)20(23)13(15(21)19-14)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,18H,3,8H2,1-2H3,(H,19,21)