(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H13NO7S MolecularWeight: 411.38472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO7S/c1-26-14-3-4-15-12(8-19(22)28-16(15)9-14)10-27-20(23)18-7-11-6-13(21(24)25)2-5-17(11)29-18/h2-9H,10H2,1H3