2-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C17H13N2O6- MolecularWeight: 341.29492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N2O6/c20-14-4-3-13(19(22)23)8-12(14)9-18-17(21)6-2-11-1-5-15-16(7-11)25-10-24-15/h1-8,20H,9-10H2,(H,18,21)/p-1/b6-2+