(Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-2-enedioate

Systemtic Name: (Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-2-enedioate Openeye Name: (Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-2-enedioate CAS Name: (Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-2-butenedioate IUPAC Name: (Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-2-enedioate Traditional Name: (Z)-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-2-enedioate Formula: C13H11NO4-2 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CN1)C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C(C2=CC=CC=C2CN1)/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c15-12(16)5-10(13(17)18)11-7-14-6-8-3-1-2-4-9(8)11/h1-5,11,14H,6-7H2,(H,15,16)(H,17,18)/p-2/b10-5-