ethyl 2-[4-nitro-2-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-nitro-2-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenoxy]ethanoate Openeye Name: ethyl 2-[4-nitro-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate CAS Name: 2-[4-nitro-2-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-nitro-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate Traditional Name: 2-[4-nitro-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetic acid ethyl ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O7/c1-2-34-26(30)19-36-25-16-13-22(29(32)33)18-24(25)28-27(31)21-11-14-23(15-12-21)35-17-7-6-10-20-8-4-3-5-9-20/h3-5,8-9,11-16,18H,2,6-7,10,17,19H2,1H3,(H,28,31)