ethyl 2-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[2-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[2-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[2-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC(=NC=C1[N+](=O)[O-])NCC(=O)OCC

Isomeric SMILES

CCOC(=O)CNC1=NC(=NC=C1[N+](=O)[O-])NCC(=O)OCC

InChI

InChI=1S/C12H17N5O6/c1-3-22-9(18)6-13-11-8(17(20)21)5-14-12(16-11)15-7-10(19)23-4-2/h5H,3-4,6-7H2,1-2H3,(H2,13,14,15,16)