N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-4-nitro-benzamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4/c20-17(13-5-7-14(8-6-13)19(21)22)18-11-16-15-4-2-1-3-12(15)9-10-23-16/h1-8,16H,9-11H2,(H,18,20)/t16-/m1/s1