N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)ethanediamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)ethanediamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-N'-(4-nitrophenyl)oxamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-N'-(4-nitrophenyl)oxamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)oxamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-N'-(4-nitrophenyl)oxamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-17(18(23)20-13-5-7-14(8-6-13)21(24)25)19-11-16-15-4-2-1-3-12(15)9-10-26-16/h1-8,16H,9-11H2,(H,19,22)(H,20,23)/t16-/m1/s1