(6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) ethanoate

Systemtic Name: (6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) ethanoate Openeye Name: (6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) acetate CAS Name: acetic acid (6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) ester IUPAC Name: (6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) acetate Traditional Name: acetic acid (6-phenyl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) ester Formula: C20H16NO3+ MolecularWeight: 318.34594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(OC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(OC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16NO3/c1-14(22)23-20-17-11-7-13-21(17)16-10-5-6-12-18(16)24-19(20)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3/q+1