2-[(1S)-3-(4-bromophenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]propanedinitrile

Systemtic Name: 2-[(1S)-3-(4-bromophenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]propanedinitrile Openeye Name: 2-[(1S)-3-(4-bromophenyl)-1-(4-nitrophenyl)-3-oxo-propyl]propanedinitrile CAS Name: 2-[(1S)-3-(4-bromophenyl)-1-(4-nitrophenyl)-3-oxopropyl]propanedinitrile IUPAC Name: 2-[(1S)-3-(4-bromophenyl)-1-(4-nitrophenyl)-3-oxopropyl]propanedinitrile Traditional Name: 2-[(1S)-3-(4-bromophenyl)-3-keto-1-(4-nitrophenyl)propyl]malononitrile Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Br)C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H](CC(=O)C2=CC=C(C=C2)Br)C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN3O3/c19-15-5-1-13(2-6-15)18(23)9-17(14(10-20)11-21)12-3-7-16(8-4-12)22(24)25/h1-8,14,17H,9H2/t17-/m1/s1