(3-ethenyl-4-oxidanidyl-pyrazin-4-ium-2-yl) 3-methylbenzoate

Systemtic Name: (3-ethenyl-4-oxidanidyl-pyrazin-4-ium-2-yl) 3-methylbenzoate Openeye Name: (4-oxido-3-vinyl-pyrazin-4-ium-2-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (3-ethenyl-4-oxido-2-pyrazin-4-iumyl) ester IUPAC Name: (3-ethenyl-4-oxidopyrazin-4-ium-2-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-oxido-3-vinyl-pyrazin-4-ium-2-yl) ester Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=NC=C[N+](=C2C=C)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=NC=C[N+](=C2C=C)[O-]

InChI

InChI=1S/C14H12N2O3/c1-3-12-13(15-7-8-16(12)18)19-14(17)11-6-4-5-10(2)9-11/h3-9H,1H2,2H3