(E)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(2-hydroxy-5-nitro-benzyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H16N4O4/c24-18-8-7-17(23(26)27)10-15(18)12-20-19(25)9-6-14-11-21-22(13-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,20,25)/b9-6+