N-(2,6-dimethylphenyl)-2-[4-[2-(2-nitropyridin-3-yl)oxyethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-nitropyridin-3-yl)oxyethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2-nitro-3-pyridyl)oxy]acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-nitropyridin-3-yl)oxyacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2-nitro-3-pyridyl)oxy]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)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

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