ethyl 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-oxo-propanoate CAS Name: 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-oxopropanoate Traditional Name: 3-(2,4-diethoxy-5-nitro-1H-pyrimidin-6-ylidene)-2-keto-propionic acid ethyl ester Formula: C13H17N3O7 MolecularWeight: 327.28998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=O)C(=O)OCC)NC(=N1)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=O)C(=O)OCC)NC(=N1)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O7/c1-4-21-11-10(16(19)20)8(14-13(15-11)23-6-3)7-9(17)12(18)22-5-2/h7H,4-6H2,1-3H3,(H,14,15)