(Z)-3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (Z)-3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (Z)-N-benzyl-3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-acrylamide Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O4/c18-14-7-12(8-15(16(14)22)21(24)25)6-13(9-19)17(23)20-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,20,23)/b13-6-