4-[(4-bromophenyl)methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)methylamino]-3-nitro-benzonitrile CAS Name: 4-[(4-bromophenyl)methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(4-bromophenyl)methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(4-bromobenzyl)amino]-3-nitro-benzonitrile Formula: C14H10BrN3O2 MolecularWeight: 332.1521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H10BrN3O2/c15-12-4-1-10(2-5-12)9-17-13-6-3-11(8-16)7-14(13)18(19)20/h1-7,17H,9H2