N-cyclooctyl-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-cyclooctyl-2-methyl-3,5-dinitro-benzamide Openeye Name: N-cyclooctyl-2-methyl-3,5-dinitro-benzamide CAS Name: N-cyclooctyl-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-cyclooctyl-2-methyl-3,5-dinitrobenzamide Traditional Name: N-cyclooctyl-2-methyl-3,5-dinitro-benzamide Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2CCCCCCC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2CCCCCCC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-11-14(9-13(18(21)22)10-15(11)19(23)24)16(20)17-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3,(H,17,20)