1-ethoxy-5-nitro-isoquinoline-4-carboxylic acid

Systemtic Name: 1-ethoxy-5-nitro-isoquinoline-4-carboxylic acid Openeye Name: 1-ethoxy-5-nitro-isoquinoline-4-carboxylic acid CAS Name: 1-ethoxy-5-nitro-4-isoquinolinecarboxylic acid IUPAC Name: 1-ethoxy-5-nitroisoquinoline-4-carboxylic acid Traditional Name: 1-ethoxy-5-nitro-isoquinoline-4-carboxylic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C2=C1C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=NC=C(C2=C1C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10N2O5/c1-2-19-11-7-4-3-5-9(14(17)18)10(7)8(6-13-11)12(15)16/h3-6H,2H2,1H3,(H,15,16)