tert-butyl 2-[[6-[bis(2-methoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[bis(2-methoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[bis(2-methoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[bis(2-methoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[bis(2-methoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[bis(2-keto-2-methoxy-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C17H25N5O8 MolecularWeight: 427.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(CC(=O)OC)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(CC(=O)OC)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O8/c1-17(2,3)30-13(25)7-20(4)15-14(22(26)27)16(19-10-18-15)21(8-11(23)28-5)9-12(24)29-6/h10H,7-9H2,1-6H3