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

Systemtic Name: 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate Openeye Name: isobutyl N-[2,5-bis(aziridin-1-yl)-4-(isobutoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate CAS Name: N-[2,5-bis(1-aziridinyl)-4-[[2-methylpropoxy(oxo)methyl]amino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate Traditional Name: N-[2,5-diethylenimino-4-(isobutoxycarbonylamino)-3,6-diketo-cyclohexa-1,4-dien-1-yl]carbamic acid isobutyl ester Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC(C)C)N3CC3

Isomeric SMILES

CC(C)COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC(C)C)N3CC3

InChI

InChI=1S/C20H28N4O6/c1-11(2)9-29-19(27)21-13-15(23-5-6-23)18(26)14(16(17(13)25)24-7-8-24)22-20(28)30-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,21,27)(H,22,28)