3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: N-(4-isopropoxybenzyl)-3,5-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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