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

Systemtic Name: (E)-3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-nitro-phenyl)-2-cyano-N-(p-tolyl)acrylamide Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H12BrN3O4/c1-10-2-4-13(5-3-10)20-17(23)12(9-19)6-11-7-14(18)16(22)15(8-11)21(24)25/h2-8,22H,1H3,(H,20,23)/b12-6+