tert-butyl 2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: 2-[(2-chloro-5-nitro-4-pyrimidinyl)amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid tert-butyl ester Formula: C20H24ClN5O6 MolecularWeight: 465.88746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC(=NC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC(=NC=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C20H24ClN5O6/c1-20(2,3)32-17(27)14(23-16-15(26(29)30)11-22-18(21)24-16)10-12-6-8-13(9-7-12)31-19(28)25(4)5/h6-9,11,14H,10H2,1-5H3,(H,22,23,24)