4-(5-nitro-2-phenyl-1H-indol-3-yl)butanoic acid

Systemtic Name: 4-(5-nitro-2-phenyl-1H-indol-3-yl)butanoic acid Openeye Name: 4-(5-nitro-2-phenyl-1H-indol-3-yl)butanoic acid CAS Name: 4-(5-nitro-2-phenyl-1H-indol-3-yl)butanoic acid IUPAC Name: 4-(5-nitro-2-phenyl-1H-indol-3-yl)butanoic acid Traditional Name: 4-(5-nitro-2-phenyl-1H-indol-3-yl)butyric acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C18H16N2O4/c21-17(22)8-4-7-14-15-11-13(20(23)24)9-10-16(15)19-18(14)12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,21,22)