N-[[cyanomethyl(ethanoyl)amino]methyl]-4-nitro-benzamide

Systemtic Name: N-[[cyanomethyl(ethanoyl)amino]methyl]-4-nitro-benzamide Openeye Name: N-[[acetyl(cyanomethyl)amino]methyl]-4-nitro-benzamide CAS Name: N-[[acetyl(cyanomethyl)amino]methyl]-4-nitrobenzamide IUPAC Name: N-[[acetyl(cyanomethyl)amino]methyl]-4-nitrobenzamide Traditional Name: N-[[acetyl(cyanomethyl)amino]methyl]-4-nitro-benzamide Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c1-9(17)15(7-6-13)8-14-12(18)10-2-4-11(5-3-10)16(19)20/h2-5H,7-8H2,1H3,(H,14,18)