3-[1-(4-bromophenyl)-2-nitro-ethyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[1-(4-bromophenyl)-2-nitro-ethyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[1-(4-bromophenyl)-2-nitro-ethyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[1-(4-bromophenyl)-2-nitroethyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[1-(4-bromophenyl)-2-nitroethyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[1-(4-bromophenyl)-2-nitro-ethyl]-4-hydroxy-1,2-naphthoquinone Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO5/c19-11-7-5-10(6-8-11)14(9-20(24)25)15-16(21)12-3-1-2-4-13(12)17(22)18(15)23/h1-8,14,21H,9H2