3-nitro-N-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide Traditional Name: N-[2-keto-2-(propargylamino)ethyl]-3-nitro-benzamide Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-2-6-13-11(16)8-14-12(17)9-4-3-5-10(7-9)15(18)19/h1,3-5,7H,6,8H2,(H,13,16)(H,14,17)