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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-nitrobenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-nitrobenzoate CAS Name: 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 3-nitrobenzoate Traditional Name: 3-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)17-10-18-15(9-20(23)28-19(18)7-13(17)3)11-27-21(24)14-5-4-6-16(8-14)22(25)26/h4-10,12H,11H2,1-3H3