ethyl 2-[[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[(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=C(C(=NC=N1)NCC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC=N1)NCC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O6/c1-3-22-8(18)5-13-11-10(17(20)21)12(16-7-15-11)14-6-9(19)23-4-2/h7H,3-6H2,1-2H3,(H2,13,14,15,16)