(2-nitrophenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: (2-nitrophenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: (2-nitrophenyl) 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (2-nitrophenyl) ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrNO5/c1-11(2)10-23-15-8-7-12(9-13(15)18)17(20)24-16-6-4-3-5-14(16)19(21)22/h3-9,11H,10H2,1-2H3