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

Systemtic Name: ethyl 3-[[6-(3-ethanoylphenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(3-acetylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-acetylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O7/c1-3-31-19(28)9-10-25(13-18-8-5-11-32-18)21-20(26(29)30)22(24-14-23-21)33-17-7-4-6-16(12-17)15(2)27/h4-8,11-12,14H,3,9-10,13H2,1-2H3