(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H15NO9 MolecularWeight: 413.3344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)O

InChI

InChI=1S/C20H15NO9/c1-10-15(22)3-2-12-11(6-18(23)30-19(10)12)9-29-20(24)13-7-16-17(28-5-4-27-16)8-14(13)21(25)26/h2-3,6-8,22H,4-5,9H2,1H3