3-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)amino]propanoic acid

Systemtic Name: 3-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)amino]propanoic acid Openeye Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]propanoic acid CAS Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]propanoic acid IUPAC Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]propanoic acid Traditional Name: 3-[(4-keto-6-nitro-1H-quinazolin-2-yl)amino]propionic acid Formula: C11H10N4O5 MolecularWeight: 278.2209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=C(N2)NCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=C(N2)NCCC(=O)O

InChI

InChI=1S/C11H10N4O5/c16-9(17)3-4-12-11-13-8-2-1-6(15(19)20)5-7(8)10(18)14-11/h1-2,5H,3-4H2,(H,16,17)(H2,12,13,14,18)