[2,4-bis(bromanyl)-6-methyl-3-propan-2-yl-phenyl] 3-nitrobenzoate

Systemtic Name: [2,4-bis(bromanyl)-6-methyl-3-propan-2-yl-phenyl] 3-nitrobenzoate Openeye Name: (2,4-dibromo-3-isopropyl-6-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2,4-dibromo-6-methyl-3-propan-2-ylphenyl) ester IUPAC Name: (2,4-dibromo-6-methyl-3-propan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2,4-dibromo-3-isopropyl-6-methyl-phenyl) ester Formula: C17H15Br2NO4 MolecularWeight: 457.1133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)C(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)C(C)C)Br

InChI

InChI=1S/C17H15Br2NO4/c1-9(2)14-13(18)7-10(3)16(15(14)19)24-17(21)11-5-4-6-12(8-11)20(22)23/h4-9H,1-3H3