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

Systemtic Name: (E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-phenyl-prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-cyano-N-phenyl-prop-2-enamide CAS Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-cyano-N-phenyl-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-cyano-N-phenylprop-2-enamide Traditional Name: (E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-cyano-N-phenyl-acrylamide Formula: C16H10BrN3O4 MolecularWeight: 388.1723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O4/c17-12-7-10(15(21)14(8-12)20(23)24)6-11(9-18)16(22)19-13-4-2-1-3-5-13/h1-8,21H,(H,19,22)/b11-6+