3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitro-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitrophenyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitrophenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitro-phenyl)methanone Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3/c1-12-6-7-14(10-16(12)19(21)22)17(20)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3