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

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

Isomeric SMILES

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

InChI

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