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

Systemtic Name: 4-chloranyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-(1-isobutyryl-3,4-dihydro-2H-quinolin-6-yl)-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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