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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

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