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

Systemtic Name: 4-[2-(2-methylpropylamino)ethanoyl]-2-(4-nitrophenyl)-5-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-[2-(isobutylamino)acetyl]-5-isopropyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[2-(2-methylpropylamino)-1-oxoethyl]-2-(4-nitrophenyl)-5-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-[2-(2-methylpropylamino)acetyl]-2-(4-nitrophenyl)-5-propan-2-yl-1H-pyrazol-3-one Traditional Name: 4-[2-(isobutylamino)acetyl]-5-isopropyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-11(2)9-19-10-15(23)16-17(12(3)4)20-21(18(16)24)13-5-7-14(8-6-13)22(25)26/h5-8,11-12,19-20H,9-10H2,1-4H3