2-(4-nitrophenyl)-5-propan-2-yl-4-[2-(propan-2-ylamino)ethanoyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-propan-2-yl-4-[2-(propan-2-ylamino)ethanoyl]-1H-pyrazol-3-one Openeye Name: 5-isopropyl-4-[2-(isopropylamino)acetyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[1-oxo-2-(propan-2-ylamino)ethyl]-5-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 2-(4-nitrophenyl)-5-propan-2-yl-4-[2-(propan-2-ylamino)acetyl]-1H-pyrazol-3-one Traditional Name: 5-isopropyl-4-[2-(isopropylamino)acetyl]-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(C)C

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(C)C

InChI

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