(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C20H13NO7 MolecularWeight: 379.31972

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO7/c22-17(14-6-5-12-3-1-2-4-13(12)7-14)10-26-20(23)15-8-18-19(28-11-27-18)9-16(15)21(24)25/h1-9H,10-11H2