(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-nitro-phenoxy)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-nitro-phenoxy)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-nitrophenoxy)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-nitrophenoxy)propanamide Traditional Name: (2R)-2-(4-methyl-2-nitro-phenoxy)-N-piperonyl-propionamide Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-11-3-5-15(14(7-11)20(22)23)26-12(2)18(21)19-9-13-4-6-16-17(8-13)25-10-24-16/h3-8,12H,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1