N-[4-acetamido-2,5-bis(2-methylaziridin-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanamide

Systemtic Name: N-[4-acetamido-2,5-bis(2-methylaziridin-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanamide Openeye Name: N-[4-acetamido-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]acetamide CAS Name: N-[4-acetamido-2,5-bis(2-methyl-1-aziridinyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]acetamide IUPAC Name: N-[4-acetamido-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide Traditional Name: N-[4-acetamido-3,6-diketo-2,5-bis(2-methylethylenimin-1-yl)cyclohexa-1,4-dien-1-yl]acetamide Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN1C2=C(C(=O)C(=C(C2=O)NC(=O)C)N3CC3C)NC(=O)C

Isomeric SMILES

CC1CN1C2=C(C(=O)C(=C(C2=O)NC(=O)C)N3CC3C)NC(=O)C

InChI

InChI=1S/C16H20N4O4/c1-7-5-19(7)13-11(17-9(3)21)16(24)14(20-6-8(20)2)12(15(13)23)18-10(4)22/h7-8H,5-6H2,1-4H3,(H,17,21)(H,18,22)