3-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid

Systemtic Name: 3-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid Openeye Name: 3-[(6-nitro-4-phenyl-quinazolin-2-yl)amino]propanoic acid CAS Name: 3-[(6-nitro-4-phenyl-2-quinazolinyl)amino]propanoic acid IUPAC Name: 3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid Traditional Name: 3-[(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:

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C17H14N4O4/c22-15(23)8-9-18-17-19-14-7-6-12(21(24)25)10-13(14)16(20-17)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,22,23)(H,18,19,20)