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

Systemtic Name: (E)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(2-hydroxy-5-nitro-benzyl)-3-(1,3,5-trimethylpyrazol-4-yl)acrylamide Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N4O4/c1-10-14(11(2)19(3)18-10)5-7-16(22)17-9-12-8-13(20(23)24)4-6-15(12)21/h4-8,21H,9H2,1-3H3,(H,17,22)/b7-5+