N,N-bis(2-cyanoethyl)-2-nitro-benzamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-nitro-benzamide Openeye Name: N,N-bis(2-cyanoethyl)-2-nitro-benzamide CAS Name: N,N-bis(2-cyanoethyl)-2-nitrobenzamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-nitrobenzamide Traditional Name: N,N-bis(2-cyanoethyl)-2-nitro-benzamide Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3/c14-7-3-9-16(10-4-8-15)13(18)11-5-1-2-6-12(11)17(19)20/h1-2,5-6H,3-4,9-10H2