4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N6O5 MolecularWeight: 394.34096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O5/c25-17(11-4-2-1-3-5-11)23-22-16-14(24(28)29)15(19-10-20-16)21-13-8-6-12(7-9-13)18(26)27/h1-10H,(H,23,25)(H,26,27)(H2,19,20,21,22)