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

Systemtic Name: 3-[[3-ethanoyl-1,2-bis(oxidanyl)indol-6-yl]carbamoylamino]benzoic acid Openeye Name: 3-[(3-acetyl-1,2-dihydroxy-indol-6-yl)carbamoylamino]benzoic acid CAS Name: 3-[[[(3-acetyl-1,2-dihydroxy-6-indolyl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-acetyl-1,2-dihydroxyindol-6-yl)carbamoylamino]benzoic acid Traditional Name: 3-[(3-acetyl-1,2-dihydroxy-indol-6-yl)carbamoylamino]benzoic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-9(22)15-13-6-5-12(8-14(13)21(27)16(15)23)20-18(26)19-11-4-2-3-10(7-11)17(24)25/h2-8,23,27H,1H3,(H,24,25)(H2,19,20,26)