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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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