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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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 (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H17NO8 MolecularWeight: 411.36158

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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-])OCCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C

InChI

InChI=1S/C21H17NO8/c1-11-3-4-14-13(7-19(23)30-20(14)12(11)2)10-29-21(24)15-8-17-18(28-6-5-27-17)9-16(15)22(25)26/h3-4,7-9H,5-6,10H2,1-2H3