(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl) 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: (4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl) 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate CAS Name: 3-(2,5-dioxo-1-pyrrolyl)benzoic acid (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) ester IUPAC Name: (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate Traditional Name: 3-maleimidobenzoic acid (4-keto-4aH-1,2,3-benzotriazin-3-ium-3-yl) ester Formula: C18H11N4O5+ MolecularWeight: 363.30374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NN=[N+](C2=O)OC(=O)C3=CC(=CC=C3)N4C(=O)C=CC4=O)C=C1

Isomeric SMILES

C1=CC2C(=NN=[N+](C2=O)OC(=O)C3=CC(=CC=C3)N4C(=O)C=CC4=O)C=C1

InChI

InChI=1S/C18H11N4O5/c23-15-8-9-16(24)21(15)12-5-3-4-11(10-12)18(26)27-22-17(25)13-6-1-2-7-14(13)19-20-22/h1-10,13H/q+1