tert-butyl 2-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate

Systemtic Name: tert-butyl 2-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate Openeye Name: tert-butyl 2-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate CAS Name: 2-[(2-amino-5-nitro-4-pyrimidinyl)oxy]-4-cyanobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-amino-5-nitropyrimidin-4-yl)oxy-4-cyanobenzoate Traditional Name: 2-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid tert-butyl ester Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c1-16(2,3)26-14(22)10-5-4-9(7-17)6-12(10)25-13-11(21(23)24)8-19-15(18)20-13/h4-6,8H,1-3H3,(H2,18,19,20)