1-[6-[2-(2,4-dichlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(2,4-dichlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(2,4-dichlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(2,4-dichlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(2,4-dichlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H16Cl2N6O5 MolecularWeight: 455.25214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N6O5/c18-10-1-2-11(12(19)7-10)16(26)23-22-14-13(25(29)30)15(21-8-20-14)24-5-3-9(4-6-24)17(27)28/h1-2,7-9H,3-6H2,(H,23,26)(H,27,28)(H,20,21,22)