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

Systemtic Name: ethyl 3-[[6-(3-aminocarbonylphenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(3-carbamoylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(3-carbamoylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-carbamoylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(3-carbamoylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O7/c1-2-31-17(27)8-9-25(12-16-7-4-10-32-16)20-18(26(29)30)21(24-13-23-20)33-15-6-3-5-14(11-15)19(22)28/h3-7,10-11,13H,2,8-9,12H2,1H3,(H2,22,28)