(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propionamide Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H18ClN3O3/c1-12(21-9-8-13-4-2-3-5-14(13)11-21)18(23)20-17-7-6-15(22(24)25)10-16(17)19/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)/t12-/m1/s1