N-(2,6-dimethylphenyl)-2-[4-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridyl)acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(5-nitro-2-oxopyridin-1-yl)acetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-keto-5-nitro-1-pyridyl)acetyl]piperazino]acetamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5/c1-15-4-3-5-16(2)21(15)22-18(27)13-23-8-10-24(11-9-23)20(29)14-25-12-17(26(30)31)6-7-19(25)28/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,27)