3-[(7-bromanyl-6-methyl-8-oxidanylidene-pyrano[2,3-e][1,3]benzoxazol-2-yl)amino]propanoic acid

Systemtic Name: 3-[(7-bromanyl-6-methyl-8-oxidanylidene-pyrano[2,3-e][1,3]benzoxazol-2-yl)amino]propanoic acid Openeye Name: 3-[(7-bromo-6-methyl-8-oxo-pyrano[2,3-e][1,3]benzoxazol-2-yl)amino]propanoic acid CAS Name: 3-[(7-bromo-6-methyl-8-oxo-2-pyrano[2,3-e][1,3]benzoxazolyl)amino]propanoic acid IUPAC Name: 3-[(7-bromo-6-methyl-8-oxopyrano[2,3-e][1,3]benzoxazol-2-yl)amino]propanoic acid Traditional Name: 3-[(7-bromo-8-keto-6-methyl-pyrano[2,3-e][1,3]benzoxazol-2-yl)amino]propionic acid Formula: C14H11BrN2O5 MolecularWeight: 367.15154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2N=C(O3)NCCC(=O)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2N=C(O3)NCCC(=O)O)Br

InChI

InChI=1S/C14H11BrN2O5/c1-6-7-2-3-8-11(12(7)22-13(20)10(6)15)17-14(21-8)16-5-4-9(18)19/h2-3H,4-5H2,1H3,(H,16,17)(H,18,19)