4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[4-[2-oxo-2-(sec-butylamino)ethyl]piperazin-1-yl]benzamide CAS Name: 4-[4-[2-(butan-2-ylamino)-2-oxoethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[2-keto-2-(sec-butylamino)ethyl]piperazino]-3-nitro-benzamide Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-3-12(2)19-16(23)11-20-6-8-21(9-7-20)14-5-4-13(17(18)24)10-15(14)22(25)26/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,18,24)(H,19,23)