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

Systemtic Name: 4-[[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[[oxo(3-pyridinyl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(N'-nicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H13N7O5 MolecularWeight: 395.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N7O5/c25-16(11-2-1-7-18-8-11)23-22-15-13(24(28)29)14(19-9-20-15)21-12-5-3-10(4-6-12)17(26)27/h1-9H,(H,23,25)(H,26,27)(H2,19,20,21,22)