5-nitro-2-[(4-propan-2-ylphenyl)amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(4-propan-2-ylphenyl)amino]benzenecarbonitrile Openeye Name: 2-(4-isopropylanilino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-(4-propan-2-ylanilino)benzonitrile IUPAC Name: 5-nitro-2-(4-propan-2-ylanilino)benzonitrile Traditional Name: 2-cumidino-5-nitro-benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-11(2)12-3-5-14(6-4-12)18-16-8-7-15(19(20)21)9-13(16)10-17/h3-9,11,18H,1-2H3