3-(2-methylpropoxymethyl)-1-(4-nitrophenyl)piperazin-2-one

Systemtic Name: 3-(2-methylpropoxymethyl)-1-(4-nitrophenyl)piperazin-2-one Openeye Name: 3-(isobutoxymethyl)-1-(4-nitrophenyl)piperazin-2-one CAS Name: 3-(2-methylpropoxymethyl)-1-(4-nitrophenyl)-2-piperazinone IUPAC Name: 3-(2-methylpropoxymethyl)-1-(4-nitrophenyl)piperazin-2-one Traditional Name: 3-(isobutoxymethyl)-1-(4-nitrophenyl)piperazin-2-one Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1C(=O)N(CCN1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COCC1C(=O)N(CCN1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-11(2)9-22-10-14-15(19)17(8-7-16-14)12-3-5-13(6-4-12)18(20)21/h3-6,11,14,16H,7-10H2,1-2H3