(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6/c1-12(2)17-10-18-16(9-21(24)29-20(18)7-14(17)4)11-28-22(25)15-6-5-13(3)19(8-15)23(26)27/h5-10,12H,11H2,1-4H3