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

Systemtic Name: ethyl 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN5O4/c1-2-25-13(22)7-8-17-14-12(21(23)24)9-18-15(20-14)19-11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)