2-[(4-ethylphenyl)methyl-methyl-amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-ethylphenyl)methyl-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-ethylphenyl)methyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[(4-ethylphenyl)methyl-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(4-ethylphenyl)methyl-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(4-ethylbenzyl)-methyl-amino]-5-nitro-benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

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