1-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-anilino-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-anilino-5-nitro-4-pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-anilino-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-anilino-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c22-16(23)11-6-8-20(9-7-11)15-13(21(24)25)14(17-10-18-15)19-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,22,23)(H,17,18,19)