(7-oxidanidyl-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) 3-chloranylbenzoate

Systemtic Name: (7-oxidanidyl-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) 3-chloranylbenzoate Openeye Name: (7-oxido-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid (7-oxido-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) ester IUPAC Name: (7-oxido-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (7-oxido-[1,4]benzoxazino[2,3-b]phenoxazin-7-ium-3-yl) ester Formula: C25H13ClN2O5 MolecularWeight: 456.83412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=C3C=C4C(=NC5=C(O4)C=C(C=C5)OC(=O)C6=CC(=CC=C6)Cl)C=C3O2)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=C3C=C4C(=NC5=C(O4)C=C(C=C5)OC(=O)C6=CC(=CC=C6)Cl)C=C3O2)[O-]

InChI

InChI=1S/C25H13ClN2O5/c26-15-5-3-4-14(10-15)25(29)31-16-8-9-17-22(11-16)33-23-13-20-24(12-18(23)27-17)32-21-7-2-1-6-19(21)28(20)30/h1-13H