(E)-3-(1,3-benzoxazol-2-yl)-4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)but-3-enoate Formula: C22H17ClN3O3- MolecularWeight: 406.84168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O3/c1-14-17(21(23)26(25-14)13-15-7-3-2-4-8-15)11-16(12-20(27)28)22-24-18-9-5-6-10-19(18)29-22/h2-11H,12-13H2,1H3,(H,27,28)/p-1/b16-11+