[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O7 MolecularWeight: 494.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H20BrN3O7/c1-20(2,3)31-19(27)22-13-6-4-5-12(9-13)18(26)30-11-17(25)23-16-8-7-14(24(28)29)10-15(16)21/h4-10H,11H2,1-3H3,(H,22,27)(H,23,25)