5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[1-(isopentylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[1-(isoamylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-11(2)9-10-18-12(3)16-13(4)19-20(17(16)22)14-5-7-15(8-6-14)21(23)24/h5-8,11,18H,9-10H2,1-4H3