4-(2-dimethylaminoethyl)-5-nitro-3-phenylazanyl-1-(phenylmethylidene)-3H-indol-1-ium-2-one

Systemtic Name: 4-(2-dimethylaminoethyl)-5-nitro-3-phenylazanyl-1-(phenylmethylidene)-3H-indol-1-ium-2-one Openeye Name: 3-anilino-1-benzylidene-4-(2-dimethylaminoethyl)-5-nitro-indolin-1-ium-2-one CAS Name: 3-anilino-4-(2-dimethylaminoethyl)-5-nitro-1-(phenylmethylene)-3H-indol-1-ium-2-one IUPAC Name: 3-anilino-1-benzylidene-4-(2-dimethylaminoethyl)-5-nitro-3H-indol-1-ium-2-one Traditional Name: 3-anilino-1-benzal-4-(2-dimethylaminoethyl)-5-nitro-indolin-1-ium-2-one Formula: C25H25N4O3+ MolecularWeight: 429.491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=CC2=C1C(C(=O)[N+]2=CC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=C(C=CC2=C1C(C(=O)[N+]2=CC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N4O3/c1-27(2)16-15-20-21(29(31)32)13-14-22-23(20)24(26-19-11-7-4-8-12-19)25(30)28(22)17-18-9-5-3-6-10-18/h3-14,17,24,26H,15-16H2,1-2H3/q+1