N-butyl-4-[2-nitro-4-(oxidanylcarbamoyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-nitro-4-(oxidanylcarbamoyl)phenyl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[4-(hydroxycarbamoyl)-2-nitro-phenyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[4-[(hydroxyamino)-oxomethyl]-2-nitrophenyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[4-(hydroxycarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[4-(hydroxycarbamoyl)-2-nitro-phenyl]piperazine-1-carboxamide Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NO)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NO)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O5/c1-2-3-6-17-16(23)20-9-7-19(8-10-20)13-5-4-12(15(22)18-24)11-14(13)21(25)26/h4-5,11,24H,2-3,6-10H2,1H3,(H,17,23)(H,18,22)