1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylate

Systemtic Name: 1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylate Openeye Name: 1-oxo-2-(3-pyridylmethyl)isoquinoline-4-carboxylate CAS Name: 1-oxo-2-(3-pyridinylmethyl)-4-isoquinolinecarboxylate IUPAC Name: 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylate Traditional Name: 1-keto-2-(3-pyridylmethyl)isoquinoline-4-carboxylate Formula: C16H11N2O3- MolecularWeight: 279.27014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3/c19-15-13-6-2-1-5-12(13)14(16(20)21)10-18(15)9-11-4-3-7-17-8-11/h1-8,10H,9H2,(H,20,21)/p-1