(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C=CC2=NC3=CC=CC=C3O2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)/C=C/C2=NC3=CC=CC=C3O2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O3/c1-14-16(21(22)25(24-14)15-7-3-2-4-8-15)13-27-20(26)12-11-19-23-17-9-5-6-10-18(17)28-19/h2-12H,13H2,1H3/b12-11+