[(4-chlorophenyl)-bis(1-methyl-5-nitro-imidazol-2-yl)methyl] 4-chloranylbenzoate

Systemtic Name: [(4-chlorophenyl)-bis(1-methyl-5-nitro-imidazol-2-yl)methyl] 4-chloranylbenzoate Openeye Name: [(4-chlorophenyl)-bis(1-methyl-5-nitro-imidazol-2-yl)methyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(4-chlorophenyl)-bis(1-methyl-5-nitro-2-imidazolyl)methyl] ester IUPAC Name: [(4-chlorophenyl)-bis(1-methyl-5-nitroimidazol-2-yl)methyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(4-chlorophenyl)-bis(1-methyl-5-nitro-imidazol-2-yl)methyl] ester Formula: C22H16Cl2N6O6 MolecularWeight: 531.30504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(C2=CC=C(C=C2)Cl)(C3=NC=C(N3C)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(C2=CC=C(C=C2)Cl)(C3=NC=C(N3C)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16Cl2N6O6/c1-27-17(29(32)33)11-25-20(27)22(14-5-9-16(24)10-6-14,21-26-12-18(28(21)2)30(34)35)36-19(31)13-3-7-15(23)8-4-13/h3-12H,1-2H3