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

Systemtic Name: 4-[(cyclohexylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(cyclohexylmethylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(cyclohexylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(cyclohexylmethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(cyclohexylmethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-13-17(12-19-11-14-5-3-2-4-6-14)18(23)21(20-13)15-7-9-16(10-8-15)22(24)25/h7-10,12,14,19H,2-6,11H2,1H3