(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO7S/c23-21(18-7-14-10-27-17-4-2-1-3-16(17)20(14)30-18)28-9-13-6-15(22(24)25)5-12-8-26-11-29-19(12)13/h1-7H,8-11H2