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

Systemtic Name: 4-[(cyclohexylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(cyclohexylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(cyclohexylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(cyclohexylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(cyclohexylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-12-16(11-18-13-5-3-2-4-6-13)17(22)20(19-12)14-7-9-15(10-8-14)21(23)24/h7-11,13,18H,2-6H2,1H3