2-[(2S)-1-(3,6-dinitrocarbazol-9-yl)-3-methyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-(3,6-dinitrocarbazol-9-yl)-3-methyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-(3,6-dinitrocarbazole-9-carbonyl)-2-methyl-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-(3,6-dinitro-9-carbazolyl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-(3,6-dinitrocarbazol-9-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-(3,6-dinitrocarbazole-9-carbonyl)-2-methyl-propyl]isoindoline-1,3-quinone Formula: C25H18N4O7 MolecularWeight: 486.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18N4O7/c1-13(2)22(27-23(30)16-5-3-4-6-17(16)24(27)31)25(32)26-20-9-7-14(28(33)34)11-18(20)19-12-15(29(35)36)8-10-21(19)26/h3-13,22H,1-2H3/t22-/m0/s1