2,5-bis(5-bromanyl-6-nitro-1H-indol-3-yl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(5-bromanyl-6-nitro-1H-indol-3-yl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(5-bromo-6-nitro-1H-indol-3-yl)-3,6-dihydroxy-1,4-benzoquinone CAS Name: 2,5-bis(5-bromo-6-nitro-1H-indol-3-yl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(5-bromo-6-nitro-1H-indol-3-yl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis(5-bromo-6-nitro-1H-indol-3-yl)-3,6-dihydroxy-p-benzoquinone Formula: C22H10Br2N4O8 MolecularWeight: 618.1448

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Br)[N+](=O)[O-])NC=C2C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC(=C(C=C54)Br)[N+](=O)[O-])O

Isomeric SMILES

C1=C2C(=CC(=C1Br)[N+](=O)[O-])NC=C2C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC(=C(C=C54)Br)[N+](=O)[O-])O

InChI

InChI=1S/C22H10Br2N4O8/c23-11-1-7-9(5-25-13(7)3-15(11)27(33)34)17-19(29)21(31)18(22(32)20(17)30)10-6-26-14-4-16(28(35)36)12(24)2-8(10)14/h1-6,25-26,29,32H