(E)-2-benzamido-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(21(26)27)22-20(25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,25)(H,26,27)/b19-13+