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

Systemtic Name: methyl 4-[[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H15N7O5 MolecularWeight: 409.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O5/c1-30-18(27)12-2-4-13(5-3-12)22-15-14(25(28)29)16(21-10-20-15)23-24-17(26)11-6-8-19-9-7-11/h2-10H,1H3,(H,24,26)(H2,20,21,22,23)