2-[(3-bromophenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3-bromophenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-bromoanilino)-5-nitro-benzonitrile CAS Name: 2-(3-bromoanilino)-5-nitrobenzonitrile IUPAC Name: 2-(3-bromoanilino)-5-nitrobenzonitrile Traditional Name: 2-(3-bromoanilino)-5-nitro-benzonitrile Formula: C13H8BrN3O2 MolecularWeight: 318.12552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H8BrN3O2/c14-10-2-1-3-11(7-10)16-13-5-4-12(17(18)19)6-9(13)8-15/h1-7,16H