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

Systemtic Name: ethyl 3-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H18N6O5 MolecularWeight: 422.39412

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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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O5/c1-2-31-20(28)14-9-6-10-15(11-14)23-17-16(26(29)30)18(22-12-21-17)24-25-19(27)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,25,27)(H2,21,22,23,24)