(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H16N2O5S MolecularWeight: 432.44854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O5S/c26-22(15-30-23(27)14-11-16-9-12-17(13-10-16)25(28)29)24-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)24/h1-14H,15H2/b14-11+