(2-bromanyl-4-propan-2-yl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-bromanyl-4-propan-2-yl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-bromo-4-isopropyl-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-bromo-4-propan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-propan-2-ylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-bromo-4-isopropyl-phenyl) ester Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO4/c1-9(2)10-4-6-15(12(17)7-10)23-16(20)11-3-5-13(18)14(8-11)19(21)22/h3-9H,1-2H3