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

Systemtic Name: 4-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-7-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-3-nitrobenzamide Traditional Name: N-(1-isobutyryl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-13(2)21(26)23-10-4-5-15-8-9-17(12-19(15)23)22-20(25)16-7-6-14(3)18(11-16)24(27)28/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,25)