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

Systemtic Name: methyl 2-[[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-[[oxo(3-pyridinyl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(N'-nicotinoylhydrazino)-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=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CN=CC=C3)[N+](=O)[O-]

InChI

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