2,3-bis(oxidanylidene)indole-1-carboxylic acid; 2-oxidanylidene-3H-1,2-benzoxazin-2-ium-4-one

Systemtic Name: 2,3-bis(oxidanylidene)indole-1-carboxylic acid; 2-oxidanylidene-3H-1,2-benzoxazin-2-ium-4-one Openeye Name: 2,3-dioxoindoline-1-carboxylic acid; 2-oxo-3H-1,2-benzoxazin-2-ium-4-one CAS Name: 2,3-dioxo-1-indolecarboxylic acid; 2-oxo-3H-1,2-benzoxazin-2-ium-4-one IUPAC Name: 2,3-dioxoindole-1-carboxylic acid; 2-oxo-3H-1,2-benzoxazin-2-ium-4-one Traditional Name: 2,3-diketoindoline-1-carboxylic acid; 2-keto-3H-1,2-benzoxazin-2-ium-4-one Formula: C17H11N2O7+ MolecularWeight: 355.27844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=CC=CC=C2O[N+]1=O.C1=CC=C2C(=C1)C(=O)C(=O)N2C(=O)O

Isomeric SMILES

C1C(=O)C2=CC=CC=C2O[N+]1=O.C1=CC=C2C(=C1)C(=O)C(=O)N2C(=O)O

InChI

InChI=1S/C9H5NO4.C8H6NO3/c11-7-5-3-1-2-4-6(5)10(8(7)12)9(13)14;10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4H,(H,13,14);1-4H,5H2/q;+1