(2-oxidanidylisoquinolin-2-ium-4-yl) 3-chloranylbenzoate

Systemtic Name: (2-oxidanidylisoquinolin-2-ium-4-yl) 3-chloranylbenzoate Openeye Name: (2-oxidoisoquinolin-2-ium-4-yl) 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid (2-oxido-4-isoquinolin-2-iumyl) ester IUPAC Name: (2-oxidoisoquinolin-2-ium-4-yl) 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (2-oxidoisoquinolin-2-ium-4-yl) ester Formula: C16H10ClNO3 MolecularWeight: 299.7085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C=C2OC(=O)C3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C=C2OC(=O)C3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C16H10ClNO3/c17-13-6-3-5-11(8-13)16(19)21-15-10-18(20)9-12-4-1-2-7-14(12)15/h1-10H