4-[2-(2-methylnonadecan-2-ylamino)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(2-methylnonadecan-2-ylamino)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(1,1-dimethyloctadecylamino)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(2-methylnonadecan-2-ylamino)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(2-methylnonadecan-2-ylamino)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(1,1-dimethyloctadecylamino)ethylamino]-3-nitro-benzonitrile Formula: C29H50N4O2 MolecularWeight: 486.7329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)NCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)NCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C29H50N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29(2,3)32-23-22-31-27-20-19-26(25-30)24-28(27)33(34)35/h19-20,24,31-32H,4-18,21-23H2,1-3H3