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

Systemtic Name: ethyl 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butanoate Openeye Name: ethyl 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyric acid ethyl ester Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN5O4/c1-2-26-14(23)4-3-9-18-15-13(22(24)25)10-19-16(21-15)20-12-7-5-11(17)6-8-12/h5-8,10H,2-4,9H2,1H3,(H2,18,19,20,21)