[6-chloranyl-3-(hydroxymethyl)-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]methylcarbamic acid

Systemtic Name: [6-chloranyl-3-(hydroxymethyl)-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]methylcarbamic acid Openeye Name: [6-chloro-3-(hydroxymethyl)-1-oxo-4-phenyl-2-isoquinolyl]methylcarbamic acid CAS Name: [6-chloro-3-(hydroxymethyl)-1-oxo-4-phenyl-2-isoquinolinyl]methylcarbamic acid IUPAC Name: [6-chloro-3-(hydroxymethyl)-1-oxo-4-phenylisoquinolin-2-yl]methylcarbamic acid Traditional Name: (6-chloro-1-keto-3-methylol-4-phenyl-2-isoquinolyl)methylcarbamic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)CNC(=O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)CNC(=O)O)CO

InChI

InChI=1S/C18H15ClN2O4/c19-12-6-7-13-14(8-12)16(11-4-2-1-3-5-11)15(9-22)21(17(13)23)10-20-18(24)25/h1-8,20,22H,9-10H2,(H,24,25)