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

Systemtic Name: 3-[[1,2-bis(oxidanyl)-3-propanoyl-indol-6-yl]carbamoylamino]benzoic acid Openeye Name: 3-[(1,2-dihydroxy-3-propanoyl-indol-6-yl)carbamoylamino]benzoic acid CAS Name: 3-[[[[1,2-dihydroxy-3-(1-oxopropyl)-6-indolyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1,2-dihydroxy-3-propanoylindol-6-yl)carbamoylamino]benzoic acid Traditional Name: 3-[(1,2-dihydroxy-3-propionyl-indol-6-yl)carbamoylamino]benzoic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C(=O)O)O)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C(=O)O)O)O

InChI

InChI=1S/C19H17N3O6/c1-2-15(23)16-13-7-6-12(9-14(13)22(28)17(16)24)21-19(27)20-11-5-3-4-10(8-11)18(25)26/h3-9,24,28H,2H2,1H3,(H,25,26)(H2,20,21,27)