2-[1-oxidanidyl-5-(phenylcarbonyloxy)pyrazin-1-ium-2-yl]prop-2-enoic acid

Systemtic Name: 2-[1-oxidanidyl-5-(phenylcarbonyloxy)pyrazin-1-ium-2-yl]prop-2-enoic acid Openeye Name: 2-(5-benzoyloxy-1-oxido-pyrazin-1-ium-2-yl)prop-2-enoic acid CAS Name: 2-(5-benzoyloxy-1-oxido-2-pyrazin-1-iumyl)-2-propenoic acid IUPAC Name: 2-(5-benzoyloxy-1-oxidopyrazin-1-ium-2-yl)prop-2-enoic acid Traditional Name: 2-(5-benzoyloxy-1-oxido-pyrazin-1-ium-2-yl)acrylic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CN=C(C=[N+]1[O-])OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=C(C1=CN=C(C=[N+]1[O-])OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H10N2O5/c1-9(13(17)18)11-7-15-12(8-16(11)20)21-14(19)10-5-3-2-4-6-10/h2-8H,1H2,(H,17,18)