(2-bromanyl-4-butan-2-yl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 3-nitrobenzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4/c1-3-11(2)12-7-8-16(15(18)10-12)23-17(20)13-5-4-6-14(9-13)19(21)22/h4-11H,3H2,1-2H3