2-[3,6-bis(diethylamino)-9-[(4-nitrophenyl)amino]-9H-xanthen-1-yl]benzoic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-9-[(4-nitrophenyl)amino]-9H-xanthen-1-yl]benzoic acid Openeye Name: 2-[3,6-bis(diethylamino)-9-(4-nitroanilino)-9H-xanthen-1-yl]benzoic acid CAS Name: 2-[3,6-bis(diethylamino)-9-(4-nitroanilino)-9H-xanthen-1-yl]benzoic acid IUPAC Name: 2-[3,6-bis(diethylamino)-9-(4-nitroanilino)-9H-xanthen-1-yl]benzoic acid Traditional Name: 2-[3,6-bis(diethylamino)-9-(4-nitroanilino)-9H-xanthen-1-yl]benzoic acid Formula: C34H36N4O5 MolecularWeight: 580.67344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(CC)CC)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(CC)CC)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H36N4O5/c1-5-36(6-2)24-17-18-28-30(20-24)43-31-21-25(37(7-3)8-4)19-29(26-11-9-10-12-27(26)34(39)40)32(31)33(28)35-22-13-15-23(16-14-22)38(41)42/h9-21,33,35H,5-8H2,1-4H3,(H,39,40)