N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-2-phenoxy-acetamide Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O5/c25-18(14-29-16-4-2-1-3-5-16)21-13-19(26)23-10-8-22(9-11-23)15-6-7-17(20-12-15)24(27)28/h1-7,12H,8-11,13-14H2,(H,21,25)