(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylthiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylthiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO6S/c22-20(19-17(6-7-28-19)13-4-2-1-3-5-13)26-11-15-9-16(21(23)24)8-14-10-25-12-27-18(14)15/h1-9H,10-12H2