4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-3-nitro-benzonitrile CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-3-nitro-benzonitrile Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3/c1-10-5-13(6-11(2)16(10)20)9-18-14-4-3-12(8-17)7-15(14)19(21)22/h3-7,18,20H,9H2,1-2H3