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

Systemtic Name: ethyl 3-[[6-(5-chloranylpyridin-3-yl)oxy-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-[(5-chloro-3-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[(5-chloro-3-pyridinyl)oxy]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(5-chloropyridin-3-yl)oxy-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-[(5-chloro-3-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C19H18ClN5O6 MolecularWeight: 447.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O6/c1-2-29-16(26)5-6-24(11-14-4-3-7-30-14)18-17(25(27)28)19(23-12-22-18)31-15-8-13(20)9-21-10-15/h3-4,7-10,12H,2,5-6,11H2,1H3