N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(sec-butylamino)ethyl]benzamide CAS Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-(sec-butylamino)ethyl]-3-nitro-benzamide Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-3-9(2)15-12(17)8-14-13(18)10-5-4-6-11(7-10)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,15,17)