ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate

Systemtic Name: ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate Openeye Name: ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate CAS Name: N-[4-(ethoxycarbonylamino)-2,5-bis(2-methyl-1-aziridinyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate Traditional Name: N-[4-(carbethoxyamino)-3,6-diketo-2,5-bis(2-methylethylenimin-1-yl)cyclohexa-1,4-dien-1-yl]carbamic acid ethyl ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2C)NC(=O)OCC)N3CC3C

Isomeric SMILES

CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2C)NC(=O)OCC)N3CC3C

InChI

InChI=1S/C18H24N4O6/c1-5-27-17(25)19-11-13(21-7-9(21)3)16(24)12(20-18(26)28-6-2)14(15(11)23)22-8-10(22)4/h9-10H,5-8H2,1-4H3,(H,19,25)(H,20,26)