3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylideneamino)-3-oxidanyl-propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylideneamino)-3-oxidanyl-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyleneamino)-3-hydroxy-propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylideneamino)-3-hydroxypropanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylideneamino)-3-hydroxypropanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyleneamino)-3-hydroxy-propionic acid Formula: C18H15NO7 MolecularWeight: 361.299284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NC(C(C3=CC4=C(C=C3)OCO4)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[14CH]=NC([14CH](C3=CC4=C(C=C3)OCO4)O)C(=O)O

InChI

InChI=1S/C18H15NO7/c20-17(11-2-4-13-15(6-11)26-9-24-13)16(18(21)22)19-7-10-1-3-12-14(5-10)25-8-23-12/h1-7,16-17,20H,8-9H2,(H,21,22)/i7+2,17+2