3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propanoate

Systemtic Name: 3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propanoate Openeye Name: 3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propanoate CAS Name: 3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propanoate IUPAC Name: 3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propanoate Traditional Name: 3-[(2Z)-2-[(E)-3-[3-(2-carboxyethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propionate Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=CC=CC3=[N+](C4=CC=CC=C4O3)CCC(=O)O)O2)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(/C(=C/C=C/C3=[N+](C4=CC=CC=C4O3)CCC(=O)O)/O2)CCC(=O)[O-]

InChI

InChI=1S/C23H20N2O6/c26-22(27)12-14-24-16-6-1-3-8-18(16)30-20(24)10-5-11-21-25(15-13-23(28)29)17-7-2-4-9-19(17)31-21/h1-11H,12-15H2,(H-,26,27,28,29)