5-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(6-nitro-4-phenyl-2-quinazolinyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazino]valeric acid Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)CCCC(=O)O

InChI

InChI=1S/C23H23N5O5/c29-20(7-4-8-21(30)31)26-11-13-27(14-12-26)23-24-19-10-9-17(28(32)33)15-18(19)22(25-23)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2,(H,30,31)