[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O6/c1-4-26(2,3)19-8-12-22(13-9-19)34-23-14-10-20(11-15-23)27-24(29)17-33-25(30)18-6-5-7-21(16-18)28(31)32/h5-16H,4,17H2,1-3H3,(H,27,29)