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

Systemtic Name: (5-methyl-2-nitro-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (5-methyl-2-nitro-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (5-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)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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