methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate

Systemtic Name: methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate Openeye Name: methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate CAS Name: N-[2,5-bis(1-aziridinyl)-4-(methoxycarbonylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid methyl ester IUPAC Name: methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate Traditional Name: N-[4-(carbomethoxyamino)-2,5-diethylenimino-3,6-diketo-cyclohexa-1,4-dien-1-yl]carbamic acid methyl ester Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC)N3CC3

Isomeric SMILES

COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC)N3CC3

InChI

InChI=1S/C14H16N4O6/c1-23-13(21)15-7-9(17-3-4-17)12(20)8(16-14(22)24-2)10(11(7)19)18-5-6-18/h3-6H2,1-2H3,(H,15,21)(H,16,22)