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

Systemtic Name: 3,5-dinitro-N-[(4-propan-2-ylphenyl)methyl]benzamide Openeye Name: N-[(4-isopropylphenyl)methyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(4-propan-2-ylphenyl)methyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-propan-2-ylphenyl)methyl]benzamide Traditional Name: N-(4-isopropylbenzyl)-3,5-dinitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-11(2)13-5-3-12(4-6-13)10-18-17(21)14-7-15(19(22)23)9-16(8-14)20(24)25/h3-9,11H,10H2,1-2H3,(H,18,21)