[5-(2,5-ditert-butyl-4-phenylmethoxy-phenoxy)-2-nitro-phenyl] N-methylcarbamate

Systemtic Name: [5-(2,5-ditert-butyl-4-phenylmethoxy-phenoxy)-2-nitro-phenyl] N-methylcarbamate Openeye Name: [5-(4-benzyloxy-2,5-ditert-butyl-phenoxy)-2-nitro-phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-(2,5-ditert-butyl-4-phenylmethoxyphenoxy)-2-nitrophenyl] ester IUPAC Name: [5-(2,5-ditert-butyl-4-phenylmethoxyphenoxy)-2-nitrophenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-(4-benzoxy-2,5-ditert-butyl-phenoxy)-2-nitro-phenyl] ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1OCC2=CC=CC=C2)C(C)(C)C)OC3=CC(=C(C=C3)[N+](=O)[O-])OC(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1OCC2=CC=CC=C2)C(C)(C)C)OC3=CC(=C(C=C3)[N+](=O)[O-])OC(=O)NC

InChI

InChI=1S/C29H34N2O6/c1-28(2,3)21-17-25(36-20-13-14-23(31(33)34)26(15-20)37-27(32)30-7)22(29(4,5)6)16-24(21)35-18-19-11-9-8-10-12-19/h8-17H,18H2,1-7H3,(H,30,32)