4-[(2S)-2-methyl-5-nitro-1-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-quinolin-7-yl]butan-2-one

Systemtic Name: 4-[(2S)-2-methyl-5-nitro-1-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Openeye Name: 4-[(2S)-2-methyl-5-nitro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-quinolin-7-yl]butan-2-one CAS Name: 4-[(2S)-2-methyl-5-nitro-1-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-7-yl]-2-butanone IUPAC Name: 4-[(2S)-2-methyl-5-nitro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Traditional Name: 4-[(2S)-2-methyl-5-nitro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-quinolin-7-yl]butan-2-one Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C=C2[N+](=O)[O-])CCC(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C=C2[N+](=O)[O-])CCC(=O)C

InChI

InChI=1S/C21H21N3O6/c1-13-3-10-18-19(11-15(5-4-14(2)25)12-20(18)24(29)30)22(13)21(26)16-6-8-17(9-7-16)23(27)28/h6-9,11-13H,3-5,10H2,1-2H3/t13-/m0/s1