[2-chloranyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] furan-2-carboxylate

Systemtic Name: [2-chloranyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] furan-2-carboxylate Openeye Name: [2-chloro-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-chloro-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-chloro-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O4/c1-14-17(21(26)25(24-14)16-6-3-2-4-7-16)12-15-9-10-19(18(23)13-15)29-22(27)20-8-5-11-28-20/h2-13H,1H3/b17-12+