4-chloranyl-6-[(5S)-5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[(5S)-5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[(5S)-5-(4-hydroxy-3-methoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[(5S)-5-(4-hydroxy-3-methoxyphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[(5S)-5-(4-hydroxy-3-methoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[(5S)-5-(4-hydroxy-3-methoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=C3C=C(C=CC3=O)Cl)NN2)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2CC(=C3C=C(C=CC3=O)Cl)NN2)O

InChI

InChI=1S/C16H15ClN2O3/c1-22-16-6-9(2-4-15(16)21)12-8-13(19-18-12)11-7-10(17)3-5-14(11)20/h2-7,12,18-19,21H,8H2,1H3/t12-/m0/s1