(4-nitrophenyl)methyl 2-[[4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[[4-[(5-bromo-2-pyridyl)amino]-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxobutyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[4-[(5-bromo-2-pyridyl)amino]-4-keto-butanoyl]amino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C21H23BrN4O6 MolecularWeight: 507.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C21H23BrN4O6/c1-13(2)20(21(29)32-12-14-3-6-16(7-4-14)26(30)31)25-19(28)10-9-18(27)24-17-8-5-15(22)11-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,25,28)(H,23,24,27)