(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenothiazin-10-ylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6S/c27-23(31-14-17-12-18(26(28)29)11-16-13-30-15-32-24(16)17)9-10-25-19-5-1-3-7-21(19)33-22-8-4-2-6-20(22)25/h1-8,11-12H,9-10,13-15H2