(4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-methyl-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C15H11BrClNO4 MolecularWeight: 384.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)Cl)Br

InChI

InChI=1S/C15H11BrClNO4/c1-8-6-10(16)7-12(17)14(8)22-15(19)11-4-3-5-13(9(11)2)18(20)21/h3-7H,1-2H3