N-[4-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-phenyl]pentadecanamide

Systemtic Name: N-[4-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-phenyl]pentadecanamide Openeye Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitro-phenyl]pentadecanamide CAS Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitrophenyl]pentadecanamide IUPAC Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitrophenyl]pentadecanamide Traditional Name: N-[4-(3-ethoxy-5-keto-3-pyrazolin-1-yl)-3-nitro-phenyl]pentadecanamide Formula: C26H40N4O5 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2C(=O)C=C(N2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)N2C(=O)C=C(N2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C26H40N4O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-24(31)27-21-17-18-22(23(19-21)30(33)34)29-26(32)20-25(28-29)35-4-2/h17-20,28H,3-16H2,1-2H3,(H,27,31)