O3-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H19BrN2O7 MolecularWeight: 479.27806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN2O7/c1-3-29-19(25)14-8-15(10-17(9-14)23(27)28)20(26)30-11-18(24)22-12(2)13-4-6-16(21)7-5-13/h4-10,12H,3,11H2,1-2H3,(H,22,24)