4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitro-benzamide

Systemtic Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitro-benzamide CAS Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitrobenzamide Traditional Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-3,5-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6/c1-11-3-5-14(6-4-11)26-8-7-18-17(21)13-9-15(19(22)23)12(2)16(10-13)20(24)25/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)