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

Systemtic Name: tert-butyl 2-[[6-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(2-amino-2-oxo-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(2-amino-2-oxoethyl)phenoxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(2-amino-2-oxoethyl)phenoxy]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(2-amino-2-keto-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O6/c1-19(2,3)30-15(26)10-23(4)17-16(24(27)28)18(22-11-21-17)29-13-7-5-12(6-8-13)9-14(20)25/h5-8,11H,9-10H2,1-4H3,(H2,20,25)