tert-butyl N-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methyl]amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methyl]amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[tert-butoxycarbonyl-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]-N-[(4-nitrophenyl)methyl]carbamate CAS Name: N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methyl]amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[tert-butoxycarbonyl-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]benzyl]-N-(4-nitrobenzyl)carbamic acid tert-butyl ester Formula: C35H42N4O8 MolecularWeight: 646.72998

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)CN(CC3=CC=CC(=C3)CN(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)CN(CC3=CC=CC(=C3)CN(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H42N4O8/c1-23-31(40)36-29-18-27(13-16-30(29)45-23)22-38(33(42)47-35(5,6)7)21-26-10-8-9-25(17-26)20-37(32(41)46-34(2,3)4)19-24-11-14-28(15-12-24)39(43)44/h8-18,23H,19-22H2,1-7H3,(H,36,40)