2-[1-(3-bromophenyl)-2-nitro-ethyl]indene-1,3-dione

Systemtic Name: 2-[1-(3-bromophenyl)-2-nitro-ethyl]indene-1,3-dione Openeye Name: 2-[1-(3-bromophenyl)-2-nitro-ethyl]indane-1,3-dione CAS Name: 2-[1-(3-bromophenyl)-2-nitroethyl]indene-1,3-dione IUPAC Name: 2-[1-(3-bromophenyl)-2-nitroethyl]indene-1,3-dione Traditional Name: 2-[1-(3-bromophenyl)-2-nitro-ethyl]indane-1,3-quinone Formula: C17H12BrNO4 MolecularWeight: 374.18548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C[N+](=O)[O-])C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C[N+](=O)[O-])C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H12BrNO4/c18-11-5-3-4-10(8-11)14(9-19(22)23)15-16(20)12-6-1-2-7-13(12)17(15)21/h1-8,14-15H,9H2