4-[(5S)-1-(1-ethyl-4-nitro-pyrazol-3-yl)carbonyl-5-(2-hydroxyphenyl)pyrazolidin-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(5S)-1-(1-ethyl-4-nitro-pyrazol-3-yl)carbonyl-5-(2-hydroxyphenyl)pyrazolidin-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(5S)-1-(1-ethyl-4-nitro-pyrazole-3-carbonyl)-5-(2-hydroxyphenyl)pyrazolidin-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(5S)-1-[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]-5-(2-hydroxyphenyl)-3-pyrazolidinylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(5S)-1-(1-ethyl-4-nitropyrazole-3-carbonyl)-5-(2-hydroxyphenyl)pyrazolidin-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(5S)-1-(1-ethyl-4-nitro-pyrazole-3-carbonyl)-5-(2-hydroxyphenyl)pyrazolidin-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N2C(CC(=C3C=CC(=O)C(=C3)OC)N2)C4=CC=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N2[C@@H](CC(=C3C=CC(=O)C(=C3)OC)N2)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6/c1-3-25-12-17(27(31)32)21(24-25)22(30)26-16(14-6-4-5-7-18(14)28)11-15(23-26)13-8-9-19(29)20(10-13)33-2/h4-10,12,16,23,28H,3,11H2,1-2H3/t16-/m0/s1