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

Systemtic Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[2-methyl-4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[2-methyl-4-(4-nitrophenyl)piperazino]methanone Formula: C21H25N5O6 MolecularWeight: 443.4531

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-14-13-23(15-5-7-16(8-6-15)25(28)29)9-10-24(14)21(27)17-11-19(26(30)31)18(22(2)3)12-20(17)32-4/h5-8,11-12,14H,9-10,13H2,1-4H3