[2,4,6-tris(bromanyl)phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2,4,6-tris(bromanyl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: (2,4,6-tribromophenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2,4,6-tribromophenyl) ester IUPAC Name: (2,4,6-tribromophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2,4,6-tribromophenyl) ester Formula: C14H8Br3NO4 MolecularWeight: 493.92962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H8Br3NO4/c1-7-4-8(2-3-12(7)18(20)21)14(19)22-13-10(16)5-9(15)6-11(13)17/h2-6H,1H3