N-[3-(3-methoxyphenyl)-3-methyl-butyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-3,5-dinitro-benzamide CAS Name: N-[3-(3-methoxyphenyl)-3-methylbutyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(3-methoxyphenyl)-3-methylbutyl]-3,5-dinitrobenzamide Traditional Name: N-[3-(3-methoxyphenyl)-3-methyl-butyl]-3,5-dinitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

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