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

Systemtic Name: O3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-bromoanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromoanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(4-bromoanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromoanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O7/c1-2-27-17(23)11-7-12(9-15(8-11)21(25)26)18(24)28-10-16(22)20-14-5-3-13(19)4-6-14/h3-9H,2,10H2,1H3,(H,20,22)