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

Systemtic Name: ethyl 3-[[6-(4-ethanoyl-2-prop-2-enyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-acetyl-2-allyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-acetyl-2-prop-2-enylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-acetyl-2-prop-2-enylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-acetyl-2-allyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C25H26N4O7 MolecularWeight: 494.49654

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O7/c1-4-7-19-14-18(17(3)30)9-10-21(19)36-25-23(29(32)33)24(26-16-27-25)28(12-11-22(31)34-5-2)15-20-8-6-13-35-20/h4,6,8-10,13-14,16H,1,5,7,11-12,15H2,2-3H3