1-(6-nitro-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-nitro-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-nitro-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-nitro-4-phenyl-2-quinazolinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-nitro-4-phenylquinazolin-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-nitro-4-phenyl-quinazolin-2-yl)isonipecotic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O4/c25-19(26)14-8-10-23(11-9-14)20-21-17-7-6-15(24(27)28)12-16(17)18(22-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,25,26)