ethyl 3-[[2-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[[2-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C15H15Cl2N5O4 MolecularWeight: 400.2167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H15Cl2N5O4/c1-2-26-13(23)5-6-18-14-12(22(24)25)8-19-15(21-14)20-9-3-4-10(16)11(17)7-9/h3-4,7-8H,2,5-6H2,1H3,(H2,18,19,20,21)