2-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid

Systemtic Name: 2-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid Openeye Name: 2-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid CAS Name: 2-[(6-nitro-4-phenyl-2-quinazolinyl)amino]propanoic acid IUPAC Name: 2-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid Traditional Name: 2-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propionic acid Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4/c1-10(16(22)23)18-17-19-14-8-7-12(21(24)25)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,23)(H,18,19,20)