(Z)-but-2-enedioic acid; N,N,2-trimethyl-3-(2-nitrophenothiazin-10-yl)propan-1-amine

Systemtic Name: (Z)-but-2-enedioic acid; N,N,2-trimethyl-3-(2-nitrophenothiazin-10-yl)propan-1-amine Openeye Name: maleic acid; N,N,2-trimethyl-3-(2-nitrophenothiazin-10-yl)propan-1-amine CAS Name: (Z)-2-butenedioic acid; N,N,2-trimethyl-3-(2-nitro-10-phenothiazinyl)-1-propanamine IUPAC Name: (Z)-but-2-enedioic acid; N,N,2-trimethyl-3-(2-nitrophenothiazin-10-yl)propan-1-amine Traditional Name: dimethyl-[2-methyl-3-(2-nitrophenothiazin-10-yl)propyl]amine; maleic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-])CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-])CN(C)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N3O2S.C4H4O4/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)24-18-9-8-14(21(22)23)10-16(18)20;5-3(6)1-2-4(7)8/h4-10,13H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-