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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-13(2)20(25)22-9-8-14-6-7-17(10-16(14)12-22)21-19(24)15-4-3-5-18(11-15)23(26)27/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,24)