[(3S)-3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(3S)-3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [(3S)-3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [(3S)-3-methyl-4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [(3S)-3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(3S)-3-methyl-4-(4-nitrobenzoyl)piperazino]-(4-nitrophenyl)methanone Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6/c1-13-12-20(18(24)14-2-6-16(7-3-14)22(26)27)10-11-21(13)19(25)15-4-8-17(9-5-15)23(28)29/h2-9,13H,10-12H2,1H3/t13-/m0/s1