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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(3,4,5-trimethylphenoxy)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(3,4,5-trimethylphenoxy)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O6/c1-5-31-20(28)8-9-26(13-18-7-6-10-32-18)22-21(27(29)30)23(25-14-24-22)33-19-11-15(2)17(4)16(3)12-19/h6-7,10-12,14H,5,8-9,13H2,1-4H3