1-[2-(2,4-dinitrophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]butane-1,3-dione

Systemtic Name: 1-[2-(2,4-dinitrophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]butane-1,3-dione Openeye Name: 1-[2-(2,4-dinitrophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]butane-1,3-dione CAS Name: 1-[2-(2,4-dinitrophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]butane-1,3-dione IUPAC Name: 1-[2-(2,4-dinitrophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]butane-1,3-dione Traditional Name: 1-[1-(2,4-dinitrophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]butane-1,3-dione Formula: C14H12N4O7 MolecularWeight: 348.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)CC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)CC(=O)C

InChI

InChI=1S/C14H12N4O7/c1-7(19)5-12(20)13-8(2)15-16(14(13)21)10-4-3-9(17(22)23)6-11(10)18(24)25/h3-4,6,15H,5H2,1-2H3