(E)-4-(isoquinolin-5-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(isoquinolin-5-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(5-isoquinolylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(5-isoquinolinylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(isoquinolin-5-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(5-isoquinolylamino)-4-keto-but-2-enoic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H10N2O3/c16-12(4-5-13(17)18)15-11-3-1-2-9-8-14-7-6-10(9)11/h1-8H,(H,15,16)(H,17,18)/b5-4+