3-[[1-[(2-bromanyl-5-nitro-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-bromanyl-5-nitro-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-bromo-5-nitro-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(2-bromo-5-nitrophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-bromo-5-nitrophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-bromo-5-nitro-benzyl)-2-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C23H21BrN4O6 MolecularWeight: 529.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C23H21BrN4O6/c1-14-4-6-15(7-5-14)20(12-21(29)30)26-23(32)25-19-3-2-10-27(22(19)31)13-16-11-17(28(33)34)8-9-18(16)24/h2-11,20H,12-13H2,1H3,(H,29,30)(H2,25,26,32)