2-[1-(2,3-dimethyl-5-nitro-phenyl)carbonylindol-3-yl]butanoic acid

Systemtic Name: 2-[1-(2,3-dimethyl-5-nitro-phenyl)carbonylindol-3-yl]butanoic acid Openeye Name: 2-[1-(2,3-dimethyl-5-nitro-benzoyl)indol-3-yl]butanoic acid CAS Name: 2-[1-[(2,3-dimethyl-5-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 2-[1-(2,3-dimethyl-5-nitrobenzoyl)indol-3-yl]butanoic acid Traditional Name: 2-[1-(2,3-dimethyl-5-nitro-benzoyl)indol-3-yl]butyric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CN(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-4-15(21(25)26)18-11-22(19-8-6-5-7-16(18)19)20(24)17-10-14(23(27)28)9-12(2)13(17)3/h5-11,15H,4H2,1-3H3,(H,25,26)