N-[2,5-bis(chloranyl)phenyl]-2-(hexadecylamino)-3,5-dinitro-benzamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-2-(hexadecylamino)-3,5-dinitro-benzamide Openeye Name: N-(2,5-dichlorophenyl)-2-(hexadecylamino)-3,5-dinitro-benzamide CAS Name: N-(2,5-dichlorophenyl)-2-(hexadecylamino)-3,5-dinitrobenzamide IUPAC Name: N-(2,5-dichlorophenyl)-2-(hexadecylamino)-3,5-dinitrobenzamide Traditional Name: 2-(cetylamino)-N-(2,5-dichlorophenyl)-3,5-dinitro-benzamide Formula: C29H40Cl2N4O5 MolecularWeight: 595.5577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H40Cl2N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-28-24(20-23(34(37)38)21-27(28)35(39)40)29(36)33-26-19-22(30)16-17-25(26)31/h16-17,19-21,32H,2-15,18H2,1H3,(H,33,36)