methyl 2-methyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-methyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-methyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 2-methyl-3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-methyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O3/c1-15-18(21(26)27-2)9-6-10-19(15)23-20(25)12-11-16-13-22-24(14-16)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,23,25)/b12-11+