(2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylazanyl-butanoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylazanyl-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-anilino-2-nitro-butanoate CAS Name: 4-anilino-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-anilino-2-nitrobutanoate Traditional Name: 4-anilino-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C25H34N2O5 MolecularWeight: 442.54786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCNC2=CC=CC=C2)[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCNC2=CC=CC=C2)[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C25H34N2O5/c1-24(2,3)19-15-18(31-7)16-20(25(4,5)6)22(19)32-23(28)21(27(29)30)13-14-26-17-11-9-8-10-12-17/h8-12,15-16,21,26H,13-14H2,1-7H3