[2,4-bis(bromanyl)-6-(2-nitroprop-1-enyl)phenyl] 4-methylbenzoate

Systemtic Name: [2,4-bis(bromanyl)-6-(2-nitroprop-1-enyl)phenyl] 4-methylbenzoate Openeye Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester IUPAC Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester Formula: C17H13Br2NO4 MolecularWeight: 455.09742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C=C(C)[N+](=O)[O-])Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C=C(C)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C17H13Br2NO4/c1-10-3-5-12(6-4-10)17(21)24-16-13(7-11(2)20(22)23)8-14(18)9-15(16)19/h3-9H,1-2H3