[4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(2,4-dinitrophenyl)-2-methyl-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(2,4-dinitrophenyl)-2-methyl-piperazino]methanone Formula: C21H24N6O8 MolecularWeight: 488.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O8/c1-13-12-23(16-6-5-14(25(29)30)9-18(16)26(31)32)7-8-24(13)21(28)15-10-19(27(33)34)17(22(2)3)11-20(15)35-4/h5-6,9-11,13H,7-8,12H2,1-4H3