N-[2,3-bis(oxidanylidene)-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl]-3-oxidanylidene-butanamide

Systemtic Name: N-[2,3-bis(oxidanylidene)-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl]-3-oxidanylidene-butanamide Openeye Name: N-(2,3-dioxo-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl)-3-oxo-butanamide CAS Name: N-(2,3-dioxo-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl)-3-oxobutanamide IUPAC Name: N-(2,3-dioxo-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl)-3-oxobutanamide Traditional Name: N-(2,3-diketo-1,4,4a,5-tetrahydroquinazolin-3-ium-6-yl)-3-keto-butyramide Formula: C12H14N3O4+ MolecularWeight: 264.25726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C2C(C1)C[N+](=O)C(=O)N2

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C2C(C1)C[N+](=O)C(=O)N2

InChI

InChI=1S/C12H13N3O4/c1-7(16)4-11(17)13-9-2-3-10-8(5-9)6-15(19)12(18)14-10/h2-3,8H,4-6H2,1H3,(H-,13,14,17,18,19)/p+1