4-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(2,4-dimethylphenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(2,4-dimethylphenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(2,4-dimethylbenzyl)-methyl-amino]-3-nitro-benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O2/c1-12-4-6-15(13(2)8-12)11-19(3)16-7-5-14(10-18)9-17(16)20(21)22/h4-9H,11H2,1-3H3