N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-nitro-benzamide Openeye Name: N-(isochroman-1-ylmethyl)-2-nitro-benzamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-nitrobenzamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-nitrobenzamide Traditional Name: N-(isochroman-1-ylmethyl)-2-nitro-benzamide Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c20-17(14-7-3-4-8-15(14)19(21)22)18-11-16-13-6-2-1-5-12(13)9-10-23-16/h1-8,16H,9-11H2,(H,18,20)