ethyl 3-[furan-2-ylmethyl-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[4-(1-imidazolyl)phenoxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(4-imidazol-1-ylphenoxy)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(4-imidazol-1-ylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H22N6O6 MolecularWeight: 478.45738

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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)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O6/c1-2-33-20(30)9-11-27(14-19-4-3-13-34-19)22-21(29(31)32)23(26-15-25-22)35-18-7-5-17(6-8-18)28-12-10-24-16-28/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3