2,5-bis(aziridin-1-yl)-3-methyl-6-(phenoxymethyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(phenoxymethyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(phenoxymethyl)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3-methyl-6-(phenoxymethyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(phenoxymethyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-diethylenimino-3-methyl-6-(phenoxymethyl)-p-benzoquinone Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)N2CC2)COC3=CC=CC=C3)N4CC4

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)N2CC2)COC3=CC=CC=C3)N4CC4

InChI

InChI=1S/C18H18N2O3/c1-12-15(19-7-8-19)18(22)14(16(17(12)21)20-9-10-20)11-23-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3