3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propanenitrile

Systemtic Name: 3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propanenitrile Openeye Name: 3-(4-benzoyl-2-nitro-anilino)propanenitrile CAS Name: 3-(4-benzoyl-2-nitroanilino)propanenitrile IUPAC Name: 3-(4-benzoyl-2-nitroanilino)propanenitrile Traditional Name: 3-(4-benzoyl-2-nitro-anilino)propionitrile Formula: C16H13N3O3 MolecularWeight: 295.29272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3/c17-9-4-10-18-14-8-7-13(11-15(14)19(21)22)16(20)12-5-2-1-3-6-12/h1-3,5-8,11,18H,4,10H2