2-chloranyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-(1-isobutyryl-3,4-dihydro-2H-quinolin-6-yl)-5-nitro-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O4/c1-12(2)20(26)23-9-3-4-13-10-14(5-8-18(13)23)22-19(25)16-11-15(24(27)28)6-7-17(16)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,25)