(3S,4R)-2-(3-bromanylpropyl)-3-(4-iodophenyl)-7-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-(3-bromanylpropyl)-3-(4-iodophenyl)-7-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-bromopropyl)-3-(4-iodophenyl)-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-bromopropyl)-3-(4-iodophenyl)-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-bromopropyl)-3-(4-iodophenyl)-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-bromopropyl)-3-(4-iodophenyl)-1-keto-7-nitro-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H16BrIN2O5 MolecularWeight: 559.14921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CCCBr)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2[C@@H](C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CCCBr)C(=O)O)I

InChI

InChI=1S/C19H16BrIN2O5/c20-8-1-9-22-17(11-2-4-12(21)5-3-11)16(19(25)26)14-7-6-13(23(27)28)10-15(14)18(22)24/h2-7,10,16-17H,1,8-9H2,(H,25,26)/t16-,17-/m1/s1