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

Systemtic Name: 3-nitro-4-[(3-nitrophenyl)methylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(3-nitrophenyl)methylamino]benzonitrile CAS Name: 3-nitro-4-[(3-nitrophenyl)methylamino]benzonitrile IUPAC Name: 3-nitro-4-[(3-nitrophenyl)methylamino]benzonitrile Traditional Name: 3-nitro-4-[(3-nitrobenzyl)amino]benzonitrile Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O4/c15-8-10-4-5-13(14(7-10)18(21)22)16-9-11-2-1-3-12(6-11)17(19)20/h1-7,16H,9H2