methyl 4-chloranyl-3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-chloro-3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-chloro-3-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-chloro-3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-14-18(15(2)26(25-14)17-7-5-4-6-8-17)10-12-21(27)24-20-13-16(22(28)29-3)9-11-19(20)23/h4-13H,1-3H3,(H,24,27)/b12-10+