1-[6-chloranyl-4-(5-nitrooxypentylamino)quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-4-(5-nitrooxypentylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-4-(5-nitrooxypentylamino)quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-4-(5-nitrooxypentylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-4-(5-nitrooxypentylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-4-(5-nitrooxypentylamino)quinazolin-2-yl]isonipecotic acid Formula: C19H24ClN5O5 MolecularWeight: 437.87736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN5O5/c20-14-4-5-16-15(12-14)17(21-8-2-1-3-11-30-25(28)29)23-19(22-16)24-9-6-13(7-10-24)18(26)27/h4-5,12-13H,1-3,6-11H2,(H,26,27)(H,21,22,23)