2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetamide CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetamide Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetamide Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C17H17N3O3/c18-17(21)10-14-9-15(20(22)23)5-6-16(14)19-8-7-12-3-1-2-4-13(12)11-19/h1-6,9H,7-8,10-11H2,(H2,18,21)