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

Systemtic Name: O3-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromo-3-methylanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-O-methyl 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-methyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])Br

InChI

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