1-[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H16ClN7O7 MolecularWeight: 465.80464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN7O7/c18-11-2-1-10(7-12(11)24(29)30)16(26)22-21-14-13(25(31)32)15(20-8-19-14)23-5-3-9(4-6-23)17(27)28/h1-2,7-9H,3-6H2,(H,22,26)(H,27,28)(H,19,20,21)