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

Systemtic Name: [2,4-bis(bromanyl)-6-(2-nitroprop-1-enyl)phenyl] 4-methoxybenzoate Openeye Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester IUPAC Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester Formula: C17H13Br2NO5 MolecularWeight: 471.09682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Br2NO5/c1-10(20(22)23)7-12-8-13(18)9-15(19)16(12)25-17(21)11-3-5-14(24-2)6-4-11/h3-9H,1-2H3