ethyl 5-bromanyl-3-[(2-nitropyridin-3-yl)oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(2-nitropyridin-3-yl)oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(2-nitro-3-pyridyl)oxymethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(2-nitro-3-pyridinyl)oxymethyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(2-nitropyridin-3-yl)oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(2-nitro-3-pyridyl)oxymethyl]coumarilic acid ethyl ester Formula: C17H13BrN2O6 MolecularWeight: 421.19892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN2O6/c1-2-24-17(21)15-12(11-8-10(18)5-6-13(11)26-15)9-25-14-4-3-7-19-16(14)20(22)23/h3-8H,2,9H2,1H3