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

Systemtic Name: 2-chloranyl-N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O5/c22-18-11-16(25(28)29)5-6-17(18)20(26)23-15-4-3-13-7-8-24(12-14(13)10-15)21(27)19-2-1-9-30-19/h1-6,9-11H,7-8,12H2,(H,23,26)