3-[2,5-bis(oxidanylidene)-1H-1,2-benzodiazepin-2-ium-4-yl]propanoic acid

Systemtic Name: 3-[2,5-bis(oxidanylidene)-1H-1,2-benzodiazepin-2-ium-4-yl]propanoic acid Openeye Name: 3-(2,5-dioxo-1H-1,2-benzodiazepin-2-ium-4-yl)propanoic acid CAS Name: 3-(2,5-dioxo-1H-1,2-benzodiazepin-2-ium-4-yl)propanoic acid IUPAC Name: 3-(2,5-dioxo-1H-1,2-benzodiazepin-2-ium-4-yl)propanoic acid Traditional Name: 3-(2,5-diketo-1H-1,2-benzodiazepin-2-ium-4-yl)propionic acid Formula: C12H11N2O4+ MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c15-11(16)6-5-8-7-14(18)13-10-4-2-1-3-9(10)12(8)17/h1-4,7H,5-6H2,(H-,13,15,16,17,18)/p+1