(3-nitrophenyl)methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: (3-nitrophenyl)methyl 3-phenothiazin-10-ylpropanoate Openeye Name: (3-nitrophenyl)methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid (3-nitrobenzyl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O4S/c25-22(28-15-16-6-5-7-17(14-16)24(26)27)12-13-23-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)23/h1-11,14H,12-13,15H2