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

Systemtic Name: 2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[(2-chloro-5-nitro-4-pyrimidinyl)amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C16H16ClN5O6 MolecularWeight: 409.78114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN5O6/c1-21(2)16(25)28-10-5-3-9(4-6-10)7-11(14(23)24)19-13-12(22(26)27)8-18-15(17)20-13/h3-6,8,11H,7H2,1-2H3,(H,23,24)(H,18,19,20)