(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-nitrobenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-nitrobenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-nitrobenzoate CAS Name: 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 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-12(2)16-10-17-14(9-20(23)28-19(17)8-13(16)3)11-27-21(24)15-6-4-5-7-18(15)22(25)26/h4-10,12H,11H2,1-3H3