N-(4-heptoxyphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-heptoxyphenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-heptoxyphenyl)-3,5-dinitro-benzamide CAS Name: N-(4-heptoxyphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-heptoxyphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-heptoxyphenyl)-3,5-dinitro-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-2-3-4-5-6-11-29-19-9-7-16(8-10-19)21-20(24)15-12-17(22(25)26)14-18(13-15)23(27)28/h7-10,12-14H,2-6,11H2,1H3,(H,21,24)