ethyl (2R)-2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)-propan-2-yl-amino]butanoate

Systemtic Name: ethyl (2R)-2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)-propan-2-yl-amino]butanoate Openeye Name: ethyl (2R)-2-[(2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amino]butanoate CAS Name: (2R)-2-[(2-chloro-5-nitro-4-pyrimidinyl)-propan-2-ylamino]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)-propan-2-ylamino]butanoate Traditional Name: (2R)-2-[(2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amino]butyric acid ethyl ester Formula: C13H19ClN4O4 MolecularWeight: 330.76736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N(C1=NC(=NC=C1[N+](=O)[O-])Cl)C(C)C

Isomeric SMILES

CC[C@H](C(=O)OCC)N(C1=NC(=NC=C1[N+](=O)[O-])Cl)C(C)C

InChI

InChI=1S/C13H19ClN4O4/c1-5-9(12(19)22-6-2)17(8(3)4)11-10(18(20)21)7-15-13(14)16-11/h7-9H,5-6H2,1-4H3/t9-/m1/s1