(2-chloranyl-4-nitro-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-chloro-4-nitro-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

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