(4-methyl-2-nitro-phenyl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-chloranyl-2-nitro-benzoate Openeye Name: (4-methyl-2-nitro-phenyl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O6/c1-8-2-5-13(12(6-8)17(21)22)23-14(18)10-4-3-9(15)7-11(10)16(19)20/h2-7H,1H3