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

Systemtic Name: (E)-N-(2-methyl-3-nitro-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(2-methyl-3-nitrophenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)acrylamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3/c1-15-18(8-5-9-19(15)24(26)27)22-20(25)11-10-17-12-21-23(14-17)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,22,25)/b11-10+