(2-methanoyl-4-nitro-phenyl) 3-bromanyl-4-propan-2-yloxy-benzoate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 3-bromanyl-4-propan-2-yloxy-benzoate Openeye Name: (2-formyl-4-nitro-phenyl) 3-bromo-4-isopropoxy-benzoate CAS Name: 3-bromo-4-propan-2-yloxybenzoic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 3-bromo-4-propan-2-yloxybenzoate Traditional Name: 3-bromo-4-isopropoxy-benzoic acid (2-formyl-4-nitro-phenyl) ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

InChI

InChI=1S/C17H14BrNO6/c1-10(2)24-16-5-3-11(8-14(16)18)17(21)25-15-6-4-13(19(22)23)7-12(15)9-20/h3-10H,1-2H3