2-chloranyl-1-[3-(hydroxymethyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-chloranyl-1-[3-(hydroxymethyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-chloro-1-[3-(hydroxymethyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-chloro-1-[3-(hydroxymethyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-chloro-1-[3-(hydroxymethyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-chloro-1-(3-methylol-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)CCl)CO

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)CCl)CO

InChI

InChI=1S/C12H13ClN2O4/c13-5-12(17)14-6-9-4-10(15(18)19)2-1-8(9)3-11(14)7-16/h1-2,4,11,16H,3,5-7H2