N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(2-cyclohexylethoxy)phenyl]-3,5-dinitro-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-21(16-12-18(23(26)27)14-19(13-16)24(28)29)22-17-6-8-20(9-7-17)30-11-10-15-4-2-1-3-5-15/h6-9,12-15H,1-5,10-11H2,(H,22,25)