2-[1-(4-nitrophenyl)carbonylindol-3-yl]butanoic acid

Systemtic Name: 2-[1-(4-nitrophenyl)carbonylindol-3-yl]butanoic acid Openeye Name: 2-[1-(4-nitrobenzoyl)indol-3-yl]butanoic acid CAS Name: 2-[1-[(4-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 2-[1-(4-nitrobenzoyl)indol-3-yl]butanoic acid Traditional Name: 2-[1-(4-nitrobenzoyl)indol-3-yl]butyric acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c1-2-14(19(23)24)16-11-20(17-6-4-3-5-15(16)17)18(22)12-7-9-13(10-8-12)21(25)26/h3-11,14H,2H2,1H3,(H,23,24)