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

Systemtic Name: 5-chloranyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4/c1-12(2)20(26)23-8-7-13-3-5-16(9-14(13)11-23)22-19(25)17-10-15(21)4-6-18(17)24(27)28/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,25)