2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate

Systemtic Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate Openeye Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate CAS Name: 4-methyl-2H-pyrazin-4-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester IUPAC Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate Traditional Name: 4-methyl-2H-pyrazin-4-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CCN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N3O4/c1-15-7-9-16(10-8-15)14(18)21-11-6-12-2-4-13(5-3-12)17(19)20/h2-5,7-9H,6,10-11H2,1H3/q+1