2-cyano-N-[4-(2-cyanoethanoylamino)-3-nitro-phenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-(2-cyanoethanoylamino)-3-nitro-phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[(2-cyanoacetyl)amino]-3-nitro-phenyl]acetamide CAS Name: 2-cyano-N-[4-[(2-cyano-1-oxoethyl)amino]-3-nitrophenyl]acetamide IUPAC Name: 2-cyano-N-[4-[(2-cyanoacetyl)amino]-3-nitrophenyl]acetamide Traditional Name: 2-cyano-N-[4-[(2-cyanoacetyl)amino]-3-nitro-phenyl]acetamide Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CC#N)[N+](=O)[O-])NC(=O)CC#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CC#N)[N+](=O)[O-])NC(=O)CC#N

InChI

InChI=1S/C12H9N5O4/c13-5-3-11(18)15-8-1-2-9(10(7-8)17(20)21)16-12(19)4-6-14/h1-2,7H,3-4H2,(H,15,18)(H,16,19)