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

Systemtic Name: (4-nitrophenyl)methyl 4-azanyl-2-[[4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-amino-2-[[4-[(5-bromo-2-pyridyl)amino]-4-oxo-butanoyl]amino]-4-oxo-butanoate CAS Name: 4-amino-2-[[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxobutyl]amino]-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-amino-2-[[4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoyl]amino]-4-oxobutanoate Traditional Name: 4-amino-2-[[4-[(5-bromo-2-pyridyl)amino]-4-keto-butanoyl]amino]-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C20H20BrN5O7 MolecularWeight: 522.3061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(CC(=O)N)NC(=O)CCC(=O)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C(CC(=O)N)NC(=O)CCC(=O)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O7/c21-13-3-6-17(23-10-13)25-19(29)8-7-18(28)24-15(9-16(22)27)20(30)33-11-12-1-4-14(5-2-12)26(31)32/h1-6,10,15H,7-9,11H2,(H2,22,27)(H,24,28)(H,23,25,29)