2-azanyloxy-1-[1-(cyclohexylmethyl)-4-[3-(hydroxymethyl)-4-nitro-phenyl]-3-methylidene-piperazin-2-yl]ethanone

Systemtic Name: 2-azanyloxy-1-[1-(cyclohexylmethyl)-4-[3-(hydroxymethyl)-4-nitro-phenyl]-3-methylidene-piperazin-2-yl]ethanone Openeye Name: 2-aminooxy-1-[1-(cyclohexylmethyl)-4-[3-(hydroxymethyl)-4-nitro-phenyl]-3-methylene-piperazin-2-yl]ethanone CAS Name: 2-aminooxy-1-[1-(cyclohexylmethyl)-4-[3-(hydroxymethyl)-4-nitrophenyl]-3-methylene-2-piperazinyl]ethanone IUPAC Name: 2-aminooxy-1-[1-(cyclohexylmethyl)-4-[3-(hydroxymethyl)-4-nitrophenyl]-3-methylidenepiperazin-2-yl]ethanone Traditional Name: 2-aminooxy-1-[1-(cyclohexylmethyl)-3-methylene-4-(3-methylol-4-nitro-phenyl)piperazin-2-yl]ethanone Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(N(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])CO)CC3CCCCC3)C(=O)CON

Isomeric SMILES

C=C1C(N(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])CO)CC3CCCCC3)C(=O)CON

InChI

InChI=1S/C21H30N4O5/c1-15-21(20(27)14-30-22)23(12-16-5-3-2-4-6-16)9-10-24(15)18-7-8-19(25(28)29)17(11-18)13-26/h7-8,11,16,21,26H,1-6,9-10,12-14,22H2