3-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]chromen-2-one

Systemtic Name: 3-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]chromen-2-one Openeye Name: 3-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]chromen-2-one CAS Name: 3-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 3-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]chromen-2-one Traditional Name: 3-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]coumarin Formula: C22H15ClN2O3 MolecularWeight: 390.8191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC3=CC=CC=C3OC2=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC3=CC=CC=C3OC2=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O3/c1-14-17(21(23)25(24-14)16-8-3-2-4-9-16)11-12-19(26)18-13-15-7-5-6-10-20(15)28-22(18)27/h2-13H,1H3/b12-11+