1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O4/c18-13-3-1-11(2-4-13)9-19-15-14(23(26)27)16(21-10-20-15)22-7-5-12(6-8-22)17(24)25/h1-4,10,12H,5-9H2,(H,24,25)(H,19,20,21)