4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(isobutylamino)-2-oxo-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(2-methylpropylamino)-2-oxoethyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(2-methylpropylamino)-2-oxoethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(isobutylamino)-2-keto-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1CCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)CN1CCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-13(2)11-18-16(23)12-20-6-8-21(9-7-20)17(24)19-14-4-3-5-15(10-14)22(25)26/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,18,23)(H,19,24)