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

Systemtic Name: (3S,4R)-2-(3-bromanylpropyl)-7-nitro-1-oxidanylidene-3-(4-phenylphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-bromopropyl)-7-nitro-1-oxo-3-(4-phenylphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-bromopropyl)-7-nitro-1-oxo-3-(4-phenylphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-bromopropyl)-7-nitro-1-oxo-3-(4-phenylphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-bromopropyl)-1-keto-7-nitro-3-(4-phenylphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3C(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)C(=O)O

InChI

InChI=1S/C25H21BrN2O5/c26-13-4-14-27-23(18-9-7-17(8-10-18)16-5-2-1-3-6-16)22(25(30)31)20-12-11-19(28(32)33)15-21(20)24(27)29/h1-3,5-12,15,22-23H,4,13-14H2,(H,30,31)/t22-,23-/m1/s1