2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitro-benzoic acid Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzoic acid CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrobenzoic acid IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrobenzoic acid Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzoic acid Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO6/c18-16(19)12-2-1-3-13(17(20)21)11(12)6-4-10-5-7-14-15(8-10)23-9-22-14/h1-8H,9H2,(H,18,19)/b6-4+