5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidene-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidene-pyrazol-3-one Openeye Name: 4-isopropylidene-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidene-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidenepyrazol-3-one Traditional Name: 4-isopropylidene-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-8(2)12-9(3)14-15(13(12)17)10-4-6-11(7-5-10)16(18)19/h4-7H,1-3H3