[(2R)-1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-1-(phenothiazine-10-carbonyl)propyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2R)-1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenothiazin-10-ylbutan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1R)-1-(phenothiazine-10-carbonyl)propyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O5S/c1-2-21(32-24(28)16-13-17-11-14-18(15-12-17)27(30)31)25(29)26-19-7-3-5-9-22(19)33-23-10-6-4-8-20(23)26/h3-16,21H,2H2,1H3/b16-13+/t21-/m1/s1