3-[5-bromanyl-6-oxidanylidene-2-(propylamino)-1H-pyridin-3-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[5-bromanyl-6-oxidanylidene-2-(propylamino)-1H-pyridin-3-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[5-bromo-6-oxo-2-(propylamino)-1H-pyridin-3-yl]-3-oxo-propanoic acid CAS Name: 3-[5-bromo-6-oxo-2-(propylamino)-1H-pyridin-3-yl]-3-oxopropanoic acid IUPAC Name: 3-[5-bromo-6-oxo-2-(propylamino)-1H-pyridin-3-yl]-3-oxopropanoic acid Traditional Name: 3-[5-bromo-6-keto-2-(propylamino)-1H-pyridin-3-yl]-3-keto-propionic acid Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C(=O)N1)Br)C(=O)CC(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C(=O)N1)Br)C(=O)CC(=O)O

InChI

InChI=1S/C11H13BrN2O4/c1-2-3-13-10-6(8(15)5-9(16)17)4-7(12)11(18)14-10/h4H,2-3,5H2,1H3,(H,16,17)(H2,13,14,18)