4-[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-2-oxidanylidene-indol-1-yl]butanenitrile

Systemtic Name: 4-[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-2-oxidanylidene-indol-1-yl]butanenitrile Openeye Name: 4-[3-hydroxy-3-[2-(3-nitrophenyl)-2-oxo-ethyl]-2-oxo-indolin-1-yl]butanenitrile CAS Name: 4-[3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2-oxo-1-indolyl]butanenitrile IUPAC Name: 4-[3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrile Traditional Name: 4-[3-hydroxy-2-keto-3-[2-keto-2-(3-nitrophenyl)ethyl]indolin-1-yl]butyronitrile Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N2CCCC#N)(CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N2CCCC#N)(CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N3O5/c21-10-3-4-11-22-17-9-2-1-8-16(17)20(26,19(22)25)13-18(24)14-6-5-7-15(12-14)23(27)28/h1-2,5-9,12,26H,3-4,11,13H2