3-[6-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-8-yl]propanoic acid

Systemtic Name: 3-[6-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-8-yl]propanoic acid Openeye Name: 3-(6-nitro-2,4-dioxo-1H-quinazolin-8-yl)propanoic acid CAS Name: 3-(6-nitro-2,4-dioxo-1H-quinazolin-8-yl)propanoic acid IUPAC Name: 3-(6-nitro-2,4-dioxo-1H-quinazolin-8-yl)propanoic acid Traditional Name: 3-(2,4-diketo-6-nitro-1H-quinazolin-8-yl)propionic acid Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1CCC(=O)O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1CCC(=O)O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O6/c15-8(16)2-1-5-3-6(14(19)20)4-7-9(5)12-11(18)13-10(7)17/h3-4H,1-2H2,(H,15,16)(H2,12,13,17,18)