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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-(2-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-N-(2-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)acrylamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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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)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN4O3/c1-14-18(9-6-10-19(14)26(28)29)23-20(27)12-11-17-15(2)24-25(21(17)22)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,23,27)/b12-11+