2-[[(6-nitroquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-nitroquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-nitroquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-nitro-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-nitroquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-nitroquinazolin-4-yl)amino]methylene]malonic acid Formula: C12H8N4O6 MolecularWeight: 304.21512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O6/c17-11(18)8(12(19)20)4-13-10-7-3-6(16(21)22)1-2-9(7)14-5-15-10/h1-5H,(H,17,18)(H,19,20)(H,13,14,15)