ethyl 2-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-methyl-amino]ethanoate Openeye Name: ethyl 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-methyl-amino]acetate CAS Name: 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-methylamino]acetate Traditional Name: 2-[(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-methyl-amino]acetic acid ethyl ester Formula: C9H13N5O5 MolecularWeight: 271.23002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=C(C(=O)N=C(N1)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)C1=C(C(=O)N=C(N1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H13N5O5/c1-3-19-5(15)4-13(2)7-6(14(17)18)8(16)12-9(10)11-7/h3-4H2,1-2H3,(H3,10,11,12,16)