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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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