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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H13NO8 MolecularWeight: 383.30842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H13NO8/c1-10-2-3-12-11(5-18(21)28-15(12)4-10)8-25-19(22)13-6-16-17(27-9-26-16)7-14(13)20(23)24/h2-7H,8-9H2,1H3