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

Systemtic Name: 5-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]pentanoic acid Openeye Name: 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]pentanoic acid CAS Name: 5-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]pentanoic acid IUPAC Name: 5-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]pentanoic acid Traditional Name: 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]valeric acid Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN5O4/c16-10-4-6-11(7-5-10)19-15-18-9-12(21(24)25)14(20-15)17-8-2-1-3-13(22)23/h4-7,9H,1-3,8H2,(H,22,23)(H2,17,18,19,20)