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

Systemtic Name: 1-[6-[2-(4-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[(4-bromophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H17BrN6O5 MolecularWeight: 465.25808

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O5/c18-12-3-1-10(2-4-12)16(25)22-21-14-13(24(28)29)15(20-9-19-14)23-7-5-11(6-8-23)17(26)27/h1-4,9,11H,5-8H2,(H,22,25)(H,26,27)(H,19,20,21)