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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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