[2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-5-chloro-2-methyl-anilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-(4-bromo-5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H19BrClN3O6 MolecularWeight: 512.73836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C20H19BrClN3O6/c1-12-9-15(21)16(22)10-17(12)24-19(27)11-31-20(28)4-2-3-18(26)23-13-5-7-14(8-6-13)25(29)30/h5-10H,2-4,11H2,1H3,(H,23,26)(H,24,27)