4-[(2S)-2-methyl-6-nitro-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-7-yl]butan-2-one

Systemtic Name: 4-[(2S)-2-methyl-6-nitro-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Openeye Name: 4-[(2S)-1-benzoyl-2-methyl-6-nitro-3,4-dihydro-2H-quinolin-7-yl]butan-2-one CAS Name: 4-[(2S)-1-benzoyl-2-methyl-6-nitro-3,4-dihydro-2H-quinolin-7-yl]-2-butanone IUPAC Name: 4-[(2S)-1-benzoyl-2-methyl-6-nitro-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Traditional Name: 4-[(2S)-1-benzoyl-2-methyl-6-nitro-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC(=C(C=C2N1C(=O)C3=CC=CC=C3)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=CC(=C(C=C2N1C(=O)C3=CC=CC=C3)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-14-8-10-17-13-20(23(26)27)18(11-9-15(2)24)12-19(17)22(14)21(25)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3/t14-/m0/s1