5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-nitro-phenolate Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-nitro-phenolate CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-nitrophenolate Traditional Name: 5-(homopiperonylcarbamoyl)-2-nitro-phenolate Formula: C16H13N2O6- MolecularWeight: 329.28422

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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)/p-1