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

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=CC(=C(C=C2)[N+](=O)[O-])C)Cl)Br

Isomeric SMILES

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

InChI

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