4-[(cyclohexylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[(cyclohexylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(cyclohexylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(cyclohexylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(cyclohexylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(cyclohexylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4/c1-31-20-13-7-16(8-14-20)22-21(15-24-17-5-3-2-4-6-17)23(28)26(25-22)18-9-11-19(12-10-18)27(29)30/h7-15,17,24H,2-6H2,1H3