6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-methyl-4-(3-nitrophenyl)isoquinoline-3-carboxylic acid Formula: C17H11ClN2O5 MolecularWeight: 358.73264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O5/c1-19-15(17(22)23)14(9-3-2-4-11(7-9)20(24)25)13-8-10(18)5-6-12(13)16(19)21/h2-8H,1H3,(H,22,23)