[5-(3-azanyl-4-tert-butyl-2-phenylmethoxy-phenyl)-2-nitro-phenyl] N-methylcarbamate

Systemtic Name: [5-(3-azanyl-4-tert-butyl-2-phenylmethoxy-phenyl)-2-nitro-phenyl] N-methylcarbamate Openeye Name: [5-(3-amino-2-benzyloxy-4-tert-butyl-phenyl)-2-nitro-phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-(3-amino-4-tert-butyl-2-phenylmethoxyphenyl)-2-nitrophenyl] ester IUPAC Name: [5-(3-amino-4-tert-butyl-2-phenylmethoxyphenyl)-2-nitrophenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-(3-amino-2-benzoxy-4-tert-butyl-phenyl)-2-nitro-phenyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H27N3O5/c1-25(2,3)19-12-11-18(23(22(19)26)32-15-16-8-6-5-7-9-16)17-10-13-20(28(30)31)21(14-17)33-24(29)27-4/h5-14H,15,26H2,1-4H3,(H,27,29)