methyl 2-[2-[1-(2-methoxy-2-oxidanylidene-ethyl)indazol-1-ium-1-yl]ethylamino]ethanoate

Systemtic Name: methyl 2-[2-[1-(2-methoxy-2-oxidanylidene-ethyl)indazol-1-ium-1-yl]ethylamino]ethanoate Openeye Name: methyl 2-[2-[1-(2-methoxy-2-oxo-ethyl)indazol-1-ium-1-yl]ethylamino]acetate CAS Name: 2-[2-[1-(2-methoxy-2-oxoethyl)-1-indazol-1-iumyl]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(2-methoxy-2-oxoethyl)indazol-1-ium-1-yl]ethylamino]acetate Traditional Name: 2-[2-[1-(2-keto-2-methoxy-ethyl)indazol-1-ium-1-yl]ethylamino]acetic acid methyl ester Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC[N+]1(C2=CC=CC=C2C=N1)CC(=O)OC

Isomeric SMILES

COC(=O)CNCC[N+]1(C2=CC=CC=C2C=N1)CC(=O)OC

InChI

InChI=1S/C15H20N3O4/c1-21-14(19)10-16-7-8-18(11-15(20)22-2)13-6-4-3-5-12(13)9-17-18/h3-6,9,16H,7-8,10-11H2,1-2H3/q+1