[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22BrN3O6/c1-13-10-18(14(2)9-17(13)22)24-20(27)12-31-21(28)8-4-7-19(26)23-15-5-3-6-16(11-15)25(29)30/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,23,26)(H,24,27)