methyl 6-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-6-(2-phenanthridin-6-ylhydrazinyl)hexanoate

Systemtic Name: methyl 6-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-6-(2-phenanthridin-6-ylhydrazinyl)hexanoate Openeye Name: methyl 6-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-6-(2-phenanthridin-6-ylhydrazino)hexanoate CAS Name: 6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-6-(6-phenanthridinylhydrazo)hexanoic acid methyl ester IUPAC Name: methyl 6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-6-(2-phenanthridin-6-ylhydrazinyl)hexanoate Traditional Name: 6-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-6-(N'-phenanthridin-6-ylhydrazino)hexanoic acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C

InChI

InChI=1S/C28H31N3O4/c1-28(2)16-23(32)26(24(33)17-28)22(14-8-9-15-25(34)35-3)30-31-27-20-12-5-4-10-18(20)19-11-6-7-13-21(19)29-27/h4-7,10-13,30H,8-9,14-17H2,1-3H3,(H,29,31)