(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C

InChI

InChI=1S/C28H27N3O5S/c1-18-13-19(2)16-29(15-18)21-12-11-20(14-24(21)31(34)35)28(33)36-17-27(32)30-22-7-3-5-9-25(22)37-26-10-6-4-8-23(26)30/h3-12,14,18-19H,13,15-17H2,1-2H3