(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C17H9BrClNO6 MolecularWeight: 438.61346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H9BrClNO6/c18-10-1-3-12-9(5-16(21)26-15(12)6-10)8-25-17(22)13-7-11(19)2-4-14(13)20(23)24/h1-7H,8H2