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

Systemtic Name: ethyl 3-[[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H17N7O5 MolecularWeight: 423.38218

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O5/c1-2-31-19(28)13-4-3-5-14(10-13)23-16-15(26(29)30)17(22-11-21-16)24-25-18(27)12-6-8-20-9-7-12/h3-11H,2H2,1H3,(H,25,27)(H2,21,22,23,24)