[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C23H18ClN3O5S MolecularWeight: 483.92412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O5S/c24-16-10-9-15(13-19(16)27(30)31)25-22(28)14-32-23(29)11-12-26-17-5-1-3-7-20(17)33-21-8-4-2-6-18(21)26/h1-10,13H,11-12,14H2,(H,25,28)