[3,4-bis(bromanyl)phenyl] 3-[1-cyano-3-(3-nitrophenyl)-2-oxidanylidene-propyl]benzoate

Systemtic Name: [3,4-bis(bromanyl)phenyl] 3-[1-cyano-3-(3-nitrophenyl)-2-oxidanylidene-propyl]benzoate Openeye Name: (3,4-dibromophenyl) 3-[1-cyano-3-(3-nitrophenyl)-2-oxo-propyl]benzoate CAS Name: 3-[1-cyano-3-(3-nitrophenyl)-2-oxopropyl]benzoic acid (3,4-dibromophenyl) ester IUPAC Name: (3,4-dibromophenyl) 3-[1-cyano-3-(3-nitrophenyl)-2-oxopropyl]benzoate Traditional Name: 3-[1-cyano-2-keto-3-(3-nitrophenyl)propyl]benzoic acid (3,4-dibromophenyl) ester Formula: C23H14Br2N2O5 MolecularWeight: 558.17566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)C(C#N)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)C(C#N)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)Br)Br

InChI

InChI=1S/C23H14Br2N2O5/c24-20-8-7-18(12-21(20)25)32-23(29)16-5-2-4-15(11-16)19(13-26)22(28)10-14-3-1-6-17(9-14)27(30)31/h1-9,11-12,19H,10H2