1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 1-butylpiperidine; 5-methyl-4-nitro-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC1.CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN1CCCCC1.CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5.C9H19N/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-2-3-7-10-8-5-4-6-9-10/h2-5,11H,1H3;2-9H2,1H3