[5-(4-azanyl-3-bromanyl-2-oxidanylidene-pyridin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-3-bromanyl-2-oxidanylidene-pyridin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-3-bromo-2-oxo-1-pyridyl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-3-bromo-2-oxo-1-pyridinyl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-3-bromo-2-oxopyridin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-3-bromo-2-keto-1-pyridyl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H25BrN2O8 MolecularWeight: 633.4428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=C(C3=O)Br)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=C(C3=O)Br)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25BrN2O8/c32-24-22(33)16-17-34(27(24)35)28-26(42-31(38)21-14-8-3-9-15-21)25(41-30(37)20-12-6-2-7-13-20)23(40-28)18-39-29(36)19-10-4-1-5-11-19/h1-17,23,25-26,28H,18,33H2