(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O

InChI

InChI=1S/C20H17NO9/c1-10-15(22)5-4-12-11(6-18(23)30-19(10)12)9-29-20(24)13-7-16(27-2)17(28-3)8-14(13)21(25)26/h4-8,22H,9H2,1-3H3