ethyl 4-[[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N6O6 MolecularWeight: 452.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O6/c1-2-32-21(29)14-8-10-15(11-9-14)24-19-18(27(30)31)20(23-13-22-19)26-25-17(28)12-33-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,25,28)(H2,22,23,24,26)