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

Systemtic Name: ethyl 3-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(3-ethynylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-ethynylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O6/c1-3-16-7-5-8-17(13-16)32-22-20(26(28)29)21(23-15-24-22)25(11-10-19(27)30-4-2)14-18-9-6-12-31-18/h1,5-9,12-13,15H,4,10-11,14H2,2H3