3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitro-phenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitro-phenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitrophenyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitrophenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethyl-3-nitro-phenyl)propionamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-2-13-5-6-14(10-15(13)20(22)23)19-18(21)8-4-12-3-7-16-17(9-12)25-11-24-16/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,19,21)