5-bromanyl-3-[(2,4-dinitrophenyl)diazenyl]-1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-2-olate

Systemtic Name: 5-bromanyl-3-[(2,4-dinitrophenyl)diazenyl]-1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-2-olate Openeye Name: 1-(2-anilino-2-oxo-ethyl)-5-bromo-3-(2,4-dinitrophenyl)azo-indol-2-olate CAS Name: 1-(2-anilino-2-oxoethyl)-5-bromo-3-(2,4-dinitrophenyl)azo-2-indololate IUPAC Name: 1-(2-anilino-2-oxoethyl)-5-bromo-3-[(2,4-dinitrophenyl)diazenyl]indol-2-olate Traditional Name: 1-(2-anilino-2-keto-ethyl)-5-bromo-3-(2,4-dinitrophenyl)azo-indol-2-olate Formula: C22H14BrN6O6- MolecularWeight: 538.28716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C(=C2[O-])N=NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C(=C2[O-])N=NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN6O6/c23-13-6-9-18-16(10-13)21(22(31)27(18)12-20(30)24-14-4-2-1-3-5-14)26-25-17-8-7-15(28(32)33)11-19(17)29(34)35/h1-11,31H,12H2,(H,24,30)/p-1