prop-2-enyl 5-nitroisoquinoline-3-carboxylate

Systemtic Name: prop-2-enyl 5-nitroisoquinoline-3-carboxylate Openeye Name: allyl 5-nitroisoquinoline-3-carboxylate CAS Name: 5-nitro-3-isoquinolinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-nitroisoquinoline-3-carboxylate Traditional Name: 5-nitroisoquinoline-3-carboxylic acid allyl ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=NC=C2C=CC=C(C2=C1)[N+](=O)[O-]

Isomeric SMILES

C=CCOC(=O)C1=NC=C2C=CC=C(C2=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4/c1-2-6-19-13(16)11-7-10-9(8-14-11)4-3-5-12(10)15(17)18/h2-5,7-8H,1,6H2