2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[6-chloro-3-[2-(1-oxido-2-pyridin-1-iumyl)ethylamino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[6-chloro-2-keto-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]pyrazin-1-yl]acetic acid Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCNC2=NC=C(N(C2=O)CC(=O)O)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CCNC2=NC=C(N(C2=O)CC(=O)O)Cl)[O-]

InChI

InChI=1S/C13H13ClN4O4/c14-10-7-16-12(13(21)17(10)8-11(19)20)15-5-4-9-3-1-2-6-18(9)22/h1-3,6-7H,4-5,8H2,(H,15,16)(H,19,20)