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

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 3-methyl-4-nitro-benzoate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6/c1-11(2)16-10-19(22)27-18-9-14(5-6-15(16)18)26-20(23)13-4-7-17(21(24)25)12(3)8-13/h4-11H,1-3H3