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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanyl-3-nitro-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C17H10BrNO6 MolecularWeight: 404.1684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H10BrNO6/c1-9-6-16(20)25-15-8-11(3-4-12(9)15)24-17(21)10-2-5-13(18)14(7-10)19(22)23/h2-8H,1H3