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

Systemtic Name: ethyl 2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxo-pyrazin-1-yl]acetate CAS Name: 2-[6-chloro-3-[2-(1-oxido-2-pyridin-1-iumyl)ethylamino]-2-oxo-1-pyrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxopyrazin-1-yl]acetate Traditional Name: 2-[6-chloro-2-keto-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]pyrazin-1-yl]acetic acid ethyl ester Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CN=C(C1=O)NCCC2=CC=CC=[N+]2[O-])Cl

Isomeric SMILES

CCOC(=O)CN1C(=CN=C(C1=O)NCCC2=CC=CC=[N+]2[O-])Cl

InChI

InChI=1S/C15H17ClN4O4/c1-2-24-13(21)10-19-12(16)9-18-14(15(19)22)17-7-6-11-5-3-4-8-20(11)23/h3-5,8-9H,2,6-7,10H2,1H3,(H,17,18)