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

Systemtic Name: ethyl 3-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(3,4-dicyanophenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3,4-dicyanophenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C22H18N6O6 MolecularWeight: 462.41492

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(=C(C=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O6/c1-2-32-19(29)7-8-27(13-18-4-3-9-33-18)21-20(28(30)31)22(26-14-25-21)34-17-6-5-15(11-23)16(10-17)12-24/h3-6,9-10,14H,2,7-8,13H2,1H3