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

Systemtic Name: (E)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-hydroxy-5-nitro-benzyl)acrylamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H18N4O4/c25-19-8-7-18(24(27)28)10-17(19)12-21-20(26)9-6-16-11-22-23(14-16)13-15-4-2-1-3-5-15/h1-11,14,25H,12-13H2,(H,21,26)/b9-6+