3-[[(2-nitro-4-oxidanyl-phenyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2-nitro-4-oxidanyl-phenyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[(4-hydroxy-2-nitro-anilino)methyl]benzonitrile CAS Name: 3-[(4-hydroxy-2-nitroanilino)methyl]benzonitrile IUPAC Name: 3-[(4-hydroxy-2-nitroanilino)methyl]benzonitrile Traditional Name: 3-[(4-hydroxy-2-nitro-anilino)methyl]benzonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=C(C=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=C(C=C(C=C2)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H11N3O3/c15-8-10-2-1-3-11(6-10)9-16-13-5-4-12(18)7-14(13)17(19)20/h1-7,16,18H,9H2