N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-homopiperonyl-3-hydroxy-4-nitro-benzamide Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O6/c19-13-8-11(2-3-12(13)18(21)22)16(20)17-6-5-10-1-4-14-15(7-10)24-9-23-14/h1-4,7-8,19H,5-6,9H2,(H,17,20)