1-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H16BrN5O4 MolecularWeight: 422.23334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN5O4/c17-11-2-1-3-12(8-11)20-14-13(22(25)26)15(19-9-18-14)21-6-4-10(5-7-21)16(23)24/h1-3,8-10H,4-7H2,(H,23,24)(H,18,19,20)