6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 6-nitro-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5/c1-12(13-5-3-2-4-6-13)11-19-18(21)14-9-16-17(25-8-7-24-16)10-15(14)20(22)23/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21)/t12-/m1/s1