N-[3-(2-cyanoethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(2-cyanoethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-cyanoethylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(2-cyanoethylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-cyanoethylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(2-cyanoethylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c14-7-1-8-15-12(18)6-9-16-13(19)10-2-4-11(5-3-10)17(20)21/h2-5H,1,6,8-9H2,(H,15,18)(H,16,19)