methyl 2-bromanyl-2-chloranyl-2-(3-methyl-4-nitro-phenyl)ethanoate

Systemtic Name: methyl 2-bromanyl-2-chloranyl-2-(3-methyl-4-nitro-phenyl)ethanoate Openeye Name: methyl 2-bromo-2-chloro-2-(3-methyl-4-nitro-phenyl)acetate CAS Name: 2-bromo-2-chloro-2-(3-methyl-4-nitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-bromo-2-chloro-2-(3-methyl-4-nitrophenyl)acetate Traditional Name: 2-bromo-2-chloro-2-(3-methyl-4-nitro-phenyl)acetic acid methyl ester Formula: C10H9BrClNO4 MolecularWeight: 322.53976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrClNO4/c1-6-5-7(3-4-8(6)13(15)16)10(11,12)9(14)17-2/h3-5H,1-2H3