ethyl 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-pyridin-3-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amino]propanoate CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amino]propionic acid ethyl ester Formula: C20H19ClN6O4 MolecularWeight: 442.85566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CN=CC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN6O4/c1-2-31-18(28)9-11-26(16-4-3-10-22-12-16)19-17(27(29)30)13-23-20(25-19)24-15-7-5-14(21)6-8-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,23,24,25)