2-[(3-nitrophenyl)-(1-oxidanyl-3-oxidanylidene-inden-2-yl)methyl]indene-1,3-dione

Systemtic Name: 2-[(3-nitrophenyl)-(1-oxidanyl-3-oxidanylidene-inden-2-yl)methyl]indene-1,3-dione Openeye Name: 2-[(1-hydroxy-3-oxo-inden-2-yl)-(3-nitrophenyl)methyl]indane-1,3-dione CAS Name: 2-[(1-hydroxy-3-oxo-2-indenyl)-(3-nitrophenyl)methyl]indene-1,3-dione IUPAC Name: 2-[(1-hydroxy-3-oxoinden-2-yl)-(3-nitrophenyl)methyl]indene-1,3-dione Traditional Name: 2-[(1-hydroxy-3-keto-inden-2-yl)-(3-nitrophenyl)methyl]indane-1,3-quinone Formula: C25H15NO6 MolecularWeight: 425.3897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H15NO6/c27-22-15-8-1-2-9-16(15)23(28)20(22)19(13-6-5-7-14(12-13)26(31)32)21-24(29)17-10-3-4-11-18(17)25(21)30/h1-12,19-20,29H