(3S)-N-tert-butyl-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-tert-butyl-7-[2-(hydroxyamino)-2-oxo-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-tert-butyl-7-[2-(hydroxyamino)-2-oxoethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-tert-butyl-7-[2-(hydroxyamino)-2-oxoethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-tert-butyl-7-[2-(hydroxyamino)-2-keto-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)18-15(21)13-7-10-4-5-12(6-11(10)8-17-13)23-9-14(20)19-22/h4-6,13,17,22H,7-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1