N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-3,5-dinitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6/c1-12(2)17-5-4-13(3)8-18(17)28-7-6-20-19(23)14-9-15(21(24)25)11-16(10-14)22(26)27/h4-5,8-12H,6-7H2,1-3H3,(H,20,23)