(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5S/c30-25(28-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)28)17-34-26(31)18-12-13-19(22(16-18)29(32)33)27-14-6-1-7-15-27/h2-5,8-13,16H,1,6-7,14-15,17H2