3,6-bis[[1,3-bis(oxidanylidene)inden-2-yl]carbonyl]-1-methyl-azepane-4,5-dione

Systemtic Name: 3,6-bis[[1,3-bis(oxidanylidene)inden-2-yl]carbonyl]-1-methyl-azepane-4,5-dione Openeye Name: 3,6-bis(1,3-dioxoindane-2-carbonyl)-1-methyl-azepane-4,5-dione CAS Name: 3,6-bis[(1,3-dioxo-2-indenyl)-oxomethyl]-1-methylazepane-4,5-dione IUPAC Name: 3,6-bis(1,3-dioxoindene-2-carbonyl)-1-methylazepane-4,5-dione Traditional Name: 3,6-bis(1,3-diketoindane-2-carbonyl)-1-methyl-azepane-4,5-quinone Formula: C27H19NO8 MolecularWeight: 485.44166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(=O)C(=O)C(C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O)C(=O)C4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1CC(C(=O)C(=O)C(C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O)C(=O)C4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H19NO8/c1-28-10-16(24(33)18-20(29)12-6-2-3-7-13(12)21(18)30)26(35)27(36)17(11-28)25(34)19-22(31)14-8-4-5-9-15(14)23(19)32/h2-9,16-19H,10-11H2,1H3