3,4-bis(1-methyl-6-nitro-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1-methyl-6-nitro-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1-methyl-6-nitro-indol-3-yl)pyrrole-2,5-dione CAS Name: 3,4-bis(1-methyl-6-nitro-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1-methyl-6-nitro-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C22H15N5O6 MolecularWeight: 445.3844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C22H15N5O6/c1-24-9-15(13-5-3-11(26(30)31)7-17(13)24)19-20(22(29)23-21(19)28)16-10-25(2)18-8-12(27(32)33)4-6-14(16)18/h3-10H,1-2H3,(H,23,28,29)