4-azanyl-1-methyl-2-(3-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-azanyl-1-methyl-2-(3-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-amino-1-methyl-2-(3-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-amino-1-methyl-2-(3-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-amino-1-methyl-2-(3-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-amino-1-methyl-2-(3-nitrophenyl)-5-propyl-3-pyrazolin-3-one Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1C)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCC1=C(C(=O)N(N1C)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H16N4O3/c1-3-5-11-12(14)13(18)16(15(11)2)9-6-4-7-10(8-9)17(19)20/h4,6-8H,3,5,14H2,1-2H3