N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(isochroman-1-ylmethyl)-3,5-dinitro-benzamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(isochroman-1-ylmethyl)-3,5-dinitro-benzamide Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6/c21-17(12-7-13(19(22)23)9-14(8-12)20(24)25)18-10-16-15-4-2-1-3-11(15)5-6-26-16/h1-4,7-9,16H,5-6,10H2,(H,18,21)