[3-bromanyl-1-(3-nitro-4-propan-2-yl-phenyl)propyl] ethanoate

Systemtic Name: [3-bromanyl-1-(3-nitro-4-propan-2-yl-phenyl)propyl] ethanoate Openeye Name: [3-bromo-1-(4-isopropyl-3-nitro-phenyl)propyl] acetate CAS Name: acetic acid [3-bromo-1-(3-nitro-4-propan-2-ylphenyl)propyl] ester IUPAC Name: [3-bromo-1-(3-nitro-4-propan-2-ylphenyl)propyl] acetate Traditional Name: acetic acid [3-bromo-1-(4-isopropyl-3-nitro-phenyl)propyl] ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C(CCBr)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C(CCBr)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18BrNO4/c1-9(2)12-5-4-11(8-13(12)16(18)19)14(6-7-15)20-10(3)17/h4-5,8-9,14H,6-7H2,1-3H3