3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O6/c1-24-15-6-4-13(20(22)23)11-14(15)19-18(21)7-3-12-2-5-16-17(10-12)26-9-8-25-16/h2,4-6,10-11H,3,7-9H2,1H3,(H,19,21)