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

Systemtic Name: 4-(2-morpholin-4-ylethyl)-5-nitro-3-phenylazanyl-1-(phenylmethylidene)-3H-indol-1-ium-2-one Openeye Name: 3-anilino-1-benzylidene-4-(2-morpholinoethyl)-5-nitro-indolin-1-ium-2-one CAS Name: 3-anilino-4-[2-(4-morpholinyl)ethyl]-5-nitro-1-(phenylmethylene)-3H-indol-1-ium-2-one IUPAC Name: 3-anilino-1-benzylidene-4-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-1-ium-2-one Traditional Name: 3-anilino-1-benzal-4-(2-morpholinoethyl)-5-nitro-indolin-1-ium-2-one Formula: C27H27N4O4+ MolecularWeight: 471.52768

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2=C(C=CC3=C2C(C(=O)[N+]3=CC4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCC2=C(C=CC3=C2C(C(=O)[N+]3=CC4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N4O4/c32-27-26(28-21-9-5-2-6-10-21)25-22(13-14-29-15-17-35-18-16-29)23(31(33)34)11-12-24(25)30(27)19-20-7-3-1-4-8-20/h1-12,19,26,28H,13-18H2/q+1