3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanoic acid

Systemtic Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propanoic acid CAS Name: 3-(3-fluorophenyl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-3-(3-fluorophenyl)propanoic acid Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-3-(3-fluorophenyl)propionic acid Formula: C24H19FN2O4 MolecularWeight: 418.417063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(CC(=O)O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(CC(=O)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H19FN2O4/c25-18-8-4-7-17(11-18)20(13-24(28)29)22-15-26(14-16-5-2-1-3-6-16)23-10-9-19(27(30)31)12-21(22)23/h1-12,15,20H,13-14H2,(H,28,29)