4-[[1,2-bis(oxidanyl)-3-propanoyl-indol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[1,2-bis(oxidanyl)-3-propanoyl-indol-6-yl]carbamoyl]benzoic acid Openeye Name: 4-[(1,2-dihydroxy-3-propanoyl-indol-6-yl)carbamoyl]benzoic acid CAS Name: 4-[[[1,2-dihydroxy-3-(1-oxopropyl)-6-indolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(1,2-dihydroxy-3-propanoylindol-6-yl)carbamoyl]benzoic acid Traditional Name: 4-[(1,2-dihydroxy-3-propionyl-indol-6-yl)carbamoyl]benzoic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)O)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)O)O

InChI

InChI=1S/C19H16N2O6/c1-2-15(22)16-13-8-7-12(9-14(13)21(27)18(16)24)20-17(23)10-3-5-11(6-4-10)19(25)26/h3-9,24,27H,2H2,1H3,(H,20,23)(H,25,26)