(E)-2-cyano-3-(4-nitro-3-oxidanyl-phenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-nitro-3-oxidanyl-phenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-hydroxy-4-nitro-phenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(3-hydroxy-4-nitrophenyl)-N-[(1S)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-hydroxy-4-nitrophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-hydroxy-4-nitro-phenyl)-N-[(1S)-1-phenylethyl]acrylamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21(24)25)17(22)10-13/h2-10,12,22H,1H3,(H,20,23)/b15-9+/t12-/m0/s1