(4Z)-5-methyl-2-(4-nitrophenyl)-4-[(3-propan-2-yloxypropylamino)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(3-propan-2-yloxypropylamino)methylidene]pyrazol-3-one Openeye Name: (4Z)-4-[(3-isopropoxypropylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(3-propan-2-yloxypropylamino)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(3-propan-2-yloxypropylamino)methylidene]pyrazol-3-one Traditional Name: (4Z)-4-[(3-isopropoxypropylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-12(2)25-10-4-9-18-11-16-13(3)19-20(17(16)22)14-5-7-15(8-6-14)21(23)24/h5-8,11-12,18H,4,9-10H2,1-3H3/b16-11-