1-[5-nitro-6-[2-[2-(4-nitrophenyl)ethanoyl]hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-[2-[2-(4-nitrophenyl)ethanoyl]hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[[2-(4-nitrophenyl)-1-oxoethyl]hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-[N'-[2-(4-nitrophenyl)acetyl]hydrazino]pyrimidin-4-yl]isonipecotic acid Formula: C18H19N7O7 MolecularWeight: 445.38616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O7/c26-14(9-11-1-3-13(4-2-11)24(29)30)21-22-16-15(25(31)32)17(20-10-19-16)23-7-5-12(6-8-23)18(27)28/h1-4,10,12H,5-9H2,(H,21,26)(H,27,28)(H,19,20,22)