tert-butyl 2-[[6-(2-chloranyl-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(2-chloranyl-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2-chloro-4-methylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2-chloro-4-methylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H21ClN4O5/c1-11-6-7-13(12(19)8-11)27-17-15(23(25)26)16(20-10-21-17)22(5)9-14(24)28-18(2,3)4/h6-8,10H,9H2,1-5H3