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

Systemtic Name: methyl 4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16N6O5 MolecularWeight: 408.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O5/c1-30-19(27)13-7-9-14(10-8-13)22-16-15(25(28)29)17(21-11-20-16)23-24-18(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)(H2,20,21,22,23)