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

Systemtic Name: 1-[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[[(2-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-[N'-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]isonipecotic acid Formula: C17H17N7O7 MolecularWeight: 431.35958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O7/c25-16(11-3-1-2-4-12(11)23(28)29)21-20-14-13(24(30)31)15(19-9-18-14)22-7-5-10(6-8-22)17(26)27/h1-4,9-10H,5-8H2,(H,21,25)(H,26,27)(H,18,19,20)