ethyl 3-[[6-(4-bromanyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(4-bromanyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-bromo-2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-bromo-2-methoxyphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H21BrN4O7 MolecularWeight: 521.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Br)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN4O7/c1-3-31-18(27)8-9-25(12-15-5-4-10-32-15)20-19(26(28)29)21(24-13-23-20)33-16-7-6-14(22)11-17(16)30-2/h4-7,10-11,13H,3,8-9,12H2,1-2H3