2,5-bis(aziridin-1-yl)-3-(4-phenoxyphenyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(aziridin-1-yl)-3-(4-phenoxyphenyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3-(4-phenoxyphenyl)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3-(4-phenoxyphenyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3-(4-phenoxyphenyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-diethylenimino-3-(4-phenoxyphenyl)-p-benzoquinone Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=O)C(=C(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC5

Isomeric SMILES

C1CN1C2=CC(=O)C(=C(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC5

InChI

InChI=1S/C22H18N2O3/c25-19-14-18(23-10-11-23)22(26)20(21(19)24-12-13-24)15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2