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

Systemtic Name: 6-chloranyl-2-methyl-4-(4-nitrophenoxy)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-methyl-4-(4-nitrophenoxy)isoquinoline-3-carboxylic acid Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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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-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O6/c1-19-14(17(22)23)15(13-8-9(18)2-7-12(13)16(19)21)26-11-5-3-10(4-6-11)20(24)25/h2-8H,1H3,(H,22,23)