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

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-nitro-benzamide Openeye Name: N-(isochroman-1-ylmethyl)-3-nitro-benzamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-nitrobenzamide Traditional Name: N-(isochroman-1-ylmethyl)-3-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(13-5-3-6-14(10-13)19(21)22)18-11-16-15-7-2-1-4-12(15)8-9-23-16/h1-7,10,16H,8-9,11H2,(H,18,20)