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

Systemtic Name: (3S,4R)-2-(3-chloranylpropyl)-7-nitro-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-chloropropyl)-7-nitro-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-chloropropyl)-7-nitro-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-chloropropyl)-7-nitro-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-chloropropyl)-1-keto-7-nitro-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CCCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CCCCl)C(=O)O

InChI

InChI=1S/C19H17ClN2O5/c20-9-4-10-21-17(12-5-2-1-3-6-12)16(19(24)25)14-8-7-13(22(26)27)11-15(14)18(21)23/h1-3,5-8,11,16-17H,4,9-10H2,(H,24,25)/t16-,17-/m1/s1