ethyl 3-[[6-[2-(4-fluorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[2-(4-fluorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[2-(4-fluorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[[(4-fluorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-[N'-(4-fluorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H17FN6O5 MolecularWeight: 440.384583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN6O5/c1-2-32-20(29)13-4-3-5-15(10-13)24-17-16(27(30)31)18(23-11-22-17)25-26-19(28)12-6-8-14(21)9-7-12/h3-11H,2H2,1H3,(H,26,28)(H2,22,23,24,25)