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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2-nitro-phenoxy)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2-nitro-phenoxy)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2-nitrophenoxy)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2-nitrophenoxy)propanamide Traditional Name: 3-(5-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)[N+](=O)[O-])OCCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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