2-[(5-bromanylpyridin-3-yl)carbonylamino]butanedioic acid hydrate

Systemtic Name: 2-[(5-bromanylpyridin-3-yl)carbonylamino]butanedioic acid hydrate Openeye Name: 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic acid hydrate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]butanedioic acid hydrate IUPAC Name: 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic acid hydrate Traditional Name: 2-[(5-bromonicotinoyl)amino]succinic acid hydrate Formula: C10H11BrN2O6 MolecularWeight: 335.10814

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)NC(CC(=O)O)C(=O)O.O

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)NC(CC(=O)O)C(=O)O.O

InChI

InChI=1S/C10H9BrN2O5.H2O/c11-6-1-5(3-12-4-6)9(16)13-7(10(17)18)2-8(14)15;/h1,3-4,7H,2H2,(H,13,16)(H,14,15)(H,17,18);1H2