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

Systemtic Name: 2-[6-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]pentanoic acid Openeye Name: 2-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)pentanoic acid CAS Name: 2-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)pentanoic acid IUPAC Name: 2-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)pentanoic acid Traditional Name: 2-(2,4-diketo-6-nitro-1H-quinazolin-3-yl)valeric acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCCC(C(=O)O)N1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C13H13N3O6/c1-2-3-10(12(18)19)15-11(17)8-6-7(16(21)22)4-5-9(8)14-13(15)20/h4-6,10H,2-3H2,1H3,(H,14,20)(H,18,19)