(E)-4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one

Systemtic Name: (E)-4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one Openeye Name: (E)-4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one CAS Name: (E)-4-(dimethylamino)-3-(4-nitro-1-pyrazolyl)-3-buten-2-one IUPAC Name: (E)-4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one Traditional Name: (E)-4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C)N1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\N(C)C)/N1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O3/c1-7(14)9(6-11(2)3)12-5-8(4-10-12)13(15)16/h4-6H,1-3H3/b9-6+