(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C19H13NO9 MolecularWeight: 399.30782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H13NO9/c1-25-11-2-3-12-10(4-18(21)29-15(12)5-11)8-26-19(22)13-6-16-17(28-9-27-16)7-14(13)20(23)24/h2-7H,8-9H2,1H3