5-bromanyl-3-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-phenethyl-indol-2-one hydrate

Systemtic Name: 5-bromanyl-3-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-phenethyl-indol-2-one hydrate Openeye Name: 5-bromo-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxo-ethyl]-1-phenethyl-indolin-2-one hydrate CAS Name: 5-bromo-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]-1-phenethyl-2-indolone hydrate IUPAC Name: 5-bromo-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]-1-phenethylindol-2-one hydrate Traditional Name: 5-bromo-3-hydroxy-3-[2-keto-2-(2-nitrophenyl)ethyl]-1-phenethyl-oxindole hydrate Formula: C24H21BrN2O6 MolecularWeight: 513.33734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C4=CC=CC=C4[N+](=O)[O-])O.O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C4=CC=CC=C4[N+](=O)[O-])O.O

InChI

InChI=1S/C24H19BrN2O5.H2O/c25-17-10-11-21-19(14-17)24(30,15-22(28)18-8-4-5-9-20(18)27(31)32)23(29)26(21)13-12-16-6-2-1-3-7-16;/h1-11,14,30H,12-13,15H2;1H2