[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(4-bromoanilino)-5-oxo-pentanoate CAS Name: 5-(4-bromoanilino)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(4-bromoanilino)-5-oxopentanoate Traditional Name: 5-(4-bromoanilino)-5-keto-valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN2O6/c1-13-5-6-14(11-17(13)23(27)28)18(24)12-29-20(26)4-2-3-19(25)22-16-9-7-15(21)8-10-16/h5-11H,2-4,12H2,1H3,(H,22,25)