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

Systemtic Name: O3-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromo-3-methylanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C19H17BrN2O7 MolecularWeight: 465.25148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O7/c1-3-28-18(24)12-7-13(9-15(8-12)22(26)27)19(25)29-10-17(23)21-14-4-5-16(20)11(2)6-14/h4-9H,3,10H2,1-2H3,(H,21,23)