4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butanoic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butanoic acid Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butanoic acid CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butanoic acid Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyric acid Formula: C14H14ClN5O4 MolecularWeight: 351.74506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O4/c15-9-3-5-10(6-4-9)18-14-17-8-11(20(23)24)13(19-14)16-7-1-2-12(21)22/h3-6,8H,1-2,7H2,(H,21,22)(H2,16,17,18,19)