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

Systemtic Name: (4E)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4E)-4-[1-(isobutylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-4-[1-(isobutylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NCC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-10(2)9-17-11(3)15-12(4)18-19(16(15)21)13-5-7-14(8-6-13)20(22)23/h5-8,10,17H,9H2,1-4H3/b15-11+