(E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoate Formula: C19H14NO6- MolecularWeight: 352.31756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H15NO6/c1-23-15-7-11(8-16-18(15)25-10-24-16)6-12(9-17(21)22)19-20-13-4-2-3-5-14(13)26-19/h2-8H,9-10H2,1H3,(H,21,22)/p-1/b12-6+