[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (6,7-dihydroxy-2-keto-chromen-4-yl)methyl ester Formula: C17H10ClNO8 MolecularWeight: 391.7162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClNO8/c18-9-1-2-12(19(24)25)11(4-9)17(23)26-7-8-3-16(22)27-15-6-14(21)13(20)5-10(8)15/h1-6,20-21H,7H2