6-chloranyl-3-(hydroxymethyl)-2-methyl-4-(4-nitrophenoxy)isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-(hydroxymethyl)-2-methyl-4-(4-nitrophenoxy)isoquinolin-1-one Openeye Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-(4-nitrophenoxy)isoquinolin-1-one CAS Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-(4-nitrophenoxy)-1-isoquinolinone IUPAC Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-(4-nitrophenoxy)isoquinolin-1-one Traditional Name: 6-chloro-2-methyl-3-methylol-4-(4-nitrophenoxy)isocarbostyril Formula: C17H13ClN2O5 MolecularWeight: 360.74852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])CO

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C17H13ClN2O5/c1-19-15(9-21)16(14-8-10(18)2-7-13(14)17(19)22)25-12-5-3-11(4-6-12)20(23)24/h2-8,21H,9H2,1H3