(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H15NO8 MolecularWeight: 397.335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C20H15NO8/c1-10-3-4-13-12(5-18(22)29-19(13)11(10)2)8-26-20(23)14-6-16-17(28-9-27-16)7-15(14)21(24)25/h3-7H,8-9H2,1-2H3