(E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-N-(4-chlorophenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-N-(4-chlorophenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-N-(4-chlorophenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-N-(4-chlorophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-N-(4-chlorophenyl)-2-cyano-acrylamide Formula: C16H9BrClN3O4 MolecularWeight: 422.61736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Br)/C#N)Cl

InChI

InChI=1S/C16H9BrClN3O4/c17-11-6-9(15(22)14(7-11)21(24)25)5-10(8-19)16(23)20-13-3-1-12(18)2-4-13/h1-7,22H,(H,20,23)/b10-5+