1-(2-chloranylethanoyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-chloranylethanoyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(2-chloroacetyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(2-chloro-1-oxoethyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(2-chloroacetyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(2-chloroacetyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H11ClN2O5 MolecularWeight: 298.67914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O5/c13-5-10(16)11-8-4-7(15(19)20)2-1-6(8)3-9(14-11)12(17)18/h1-2,4,9,11,14H,3,5H2,(H,17,18)