2-[[(5-oxidanylidene-4-phenylmethoxy-cyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(5-oxidanylidene-4-phenylmethoxy-cyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(4-benzyloxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(5-oxo-4-phenylmethoxy-1-cyclohepta-1,3,6-trienyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(5-oxo-4-phenylmethoxycyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(4-benzoxy-5-keto-cyclohepta-1,3,6-trien-1-yl)amino]methylene]malonic acid Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=CC2=O)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=CC2=O)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO6/c20-15-8-6-13(19-10-14(17(21)22)18(23)24)7-9-16(15)25-11-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,21,22)(H,23,24)