[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-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] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl] ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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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(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6/c1-4-26(2,3)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)28-24(30)16-34-25(31)17-5-14-22(27)23(15-17)29(32)33/h5-15H,4,16,27H2,1-3H3,(H,28,30)