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

Systemtic Name: (E)-N-(2-methyl-3-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(2-methyl-3-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(2-methyl-3-nitrophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-3-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-3-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)acrylamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C=CC2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C2=C(N(N=C2C)C)C

InChI

InChI=1S/C16H18N4O3/c1-10-14(6-5-7-15(10)20(22)23)17-16(21)9-8-13-11(2)18-19(4)12(13)3/h5-9H,1-4H3,(H,17,21)/b9-8+