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

Systemtic Name: ethyl 3-[[6-(2-chloranyl-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(2-chloro-4-methylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-chloro-4-methylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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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)C)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O6/c1-3-30-18(27)8-9-25(12-15-5-4-10-31-15)20-19(26(28)29)21(24-13-23-20)32-17-7-6-14(2)11-16(17)22/h4-7,10-11,13H,3,8-9,12H2,1-2H3