2-[[(1E)-4-oxidanylidene-1-(1H-pyridin-2-ylidene)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(1E)-4-oxidanylidene-1-(1H-pyridin-2-ylidene)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(1E)-4-oxo-1-(1H-pyridin-2-ylidene)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[oxo-[(1E)-4-oxo-1-(1H-pyridin-2-ylidene)-3-isoquinolinyl]methyl]amino]acetic acid IUPAC Name: 2-[[(1E)-4-oxo-1-(1H-pyridin-2-ylidene)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[(1E)-4-keto-1-(1H-pyridin-2-ylidene)isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CN3)N=C(C2=O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/C=CC=CN3)/N=C(C2=O)C(=O)NCC(=O)O

InChI

InChI=1S/C17H13N3O4/c21-13(22)9-19-17(24)15-16(23)11-6-2-1-5-10(11)14(20-15)12-7-3-4-8-18-12/h1-8,18H,9H2,(H,19,24)(H,21,22)/b14-12+