4-(azanylmethylidene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-(azanylmethylidene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-(aminomethylene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-(aminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-(aminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-(aminomethylene)-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CN)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CN)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3/c1-2-3-12-11(8-14)13(18)16(15-12)9-4-6-10(7-5-9)17(19)20/h4-8H,2-3,14H2,1H3