O3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H14BrN3O9 MolecularWeight: 496.22246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O9/c1-2-30-17(24)10-5-11(7-13(6-10)22(28)29)18(25)31-9-16(23)20-15-4-3-12(21(26)27)8-14(15)19/h3-8H,2,9H2,1H3,(H,20,23)