(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H23NO8 MolecularWeight: 441.43062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(C)C

InChI

InChI=1S/C23H23NO8/c1-12(2)15-8-16-14(7-22(25)32-19(16)6-13(15)3)11-31-23(26)17-9-20(29-4)21(30-5)10-18(17)24(27)28/h6-10,12H,11H2,1-5H3