1-azanyl-4-oxidanyl-2-[4-(2-oxidanylideneazepan-1-yl)cyclohexa-2,4-dien-1-yl]oxy-anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-[4-(2-oxidanylideneazepan-1-yl)cyclohexa-2,4-dien-1-yl]oxy-anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-[4-(2-oxoazepan-1-yl)cyclohexa-2,4-dien-1-yl]oxy-anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-[[4-(2-oxo-1-azepanyl)-1-cyclohexa-2,4-dienyl]oxy]anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-[4-(2-oxoazepan-1-yl)cyclohexa-2,4-dien-1-yl]oxyanthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-[4-(2-ketoazepan-1-yl)cyclohexa-2,4-dien-1-yl]oxy-9,10-anthraquinone Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2=CCC(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1CCC(=O)N(CC1)C2=CCC(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C26H24N2O5/c27-24-20(33-16-11-9-15(10-12-16)28-13-5-1-2-8-21(28)30)14-19(29)22-23(24)26(32)18-7-4-3-6-17(18)25(22)31/h3-4,6-7,9-11,14,16,29H,1-2,5,8,12-13,27H2