3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H16N2O6 MolecularWeight: 344.31874

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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)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O6/c1-23-14-6-4-12(19(21)22)9-13(14)18-17(20)7-3-11-2-5-15-16(8-11)25-10-24-15/h2,4-6,8-9H,3,7,10H2,1H3,(H,18,20)