N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O5/c25-20(15-4-7-18(8-5-15)24(27)28)22-17-6-3-14-9-10-23(13-16(14)12-17)21(26)19-2-1-11-29-19/h1-8,11-12H,9-10,13H2,(H,22,25)