4-[(E)-(5-chloranyl-3-oxidanylidene-1H-inden-2-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(E)-(5-chloranyl-3-oxidanylidene-1H-inden-2-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(E)-(6-chloro-1-oxo-indan-2-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(E)-(5-chloro-3-oxo-1H-inden-2-ylidene)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(E)-(5-chloro-3-oxo-1H-inden-2-ylidene)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(E)-(6-chloro-1-keto-indan-2-ylidene)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H17ClN2O2 MolecularWeight: 364.82488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3CC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/3\CC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2/c1-13-18(21(26)24(23(13)2)17-6-4-3-5-7-17)11-15-10-14-8-9-16(22)12-19(14)20(15)25/h3-9,11-12H,10H2,1-2H3/b15-11+