ethyl 1-(N'-oxidanylcarbamimidoyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(N'-oxidanylcarbamimidoyl)-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(N'-hydroxycarbamimidoyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-[amino(hydroxyimino)methyl]-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(N'-hydroxycarbamimidoyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(aminocarbohydroximoyl)-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC=CC=C2C1C(=NO)N

Isomeric SMILES

CCOC(=O)N1C=CC2=CC=CC=C2C1C(=NO)N

InChI

InChI=1S/C13H15N3O3/c1-2-19-13(17)16-8-7-9-5-3-4-6-10(9)11(16)12(14)15-18/h3-8,11,18H,2H2,1H3,(H2,14,15)