tert-butyl N-[4-[(4-nitrophenyl)methyl]-3-oxidanylidene-1,2-diazinan-4-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(4-nitrophenyl)methyl]-3-oxidanylidene-1,2-diazinan-4-yl]carbamate Openeye Name: tert-butyl N-[4-[(4-nitrophenyl)methyl]-3-oxo-hexahydropyridazin-4-yl]carbamate CAS Name: N-[4-[(4-nitrophenyl)methyl]-3-oxo-4-diazinanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-nitrophenyl)methyl]-3-oxodiazinan-4-yl]carbamate Traditional Name: N-[3-keto-4-(4-nitrobenzyl)hexahydropyridazin-4-yl]carbamic acid tert-butyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCNNC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCNNC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5/c1-15(2,3)25-14(22)18-16(8-9-17-19-13(16)21)10-11-4-6-12(7-5-11)20(23)24/h4-7,17H,8-10H2,1-3H3,(H,18,22)(H,19,21)