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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(2-prop-2-enylphenoxy)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=CC=C3CC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=CC=C3CC=C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O6/c1-3-8-17-9-5-6-11-19(17)33-23-21(27(29)30)22(24-16-25-23)26(13-12-20(28)31-4-2)15-18-10-7-14-32-18/h3,5-7,9-11,14,16H,1,4,8,12-13,15H2,2H3