2-[(2-chloranyl-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[(2-chloranyl-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[(2-chloro-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[(2-chloro-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[(2-chloro-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[(2-chloro-5-nitro-2H-pyrimidin-5-yl)amino]-3-(4-nitrophenyl)propionic acid Formula: C13H12ClN5O6 MolecularWeight: 369.71728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2(C=NC(N=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC2(C=NC(N=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O6/c14-12-15-6-13(7-16-12,19(24)25)17-10(11(20)21)5-8-1-3-9(4-2-8)18(22)23/h1-4,6-7,10,12,17H,5H2,(H,20,21)