2-[3-[2,4-bis(oxidanylidene)-6,7-dihydro-5H-indol-1-ium-1-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[2,4-bis(oxidanylidene)-6,7-dihydro-5H-indol-1-ium-1-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-(2,4-dioxo-6,7-dihydro-5H-indol-1-ium-1-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(2,4-dioxo-6,7-dihydro-5H-indol-1-ium-1-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(2,4-dioxo-6,7-dihydro-5H-indol-1-ium-1-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(2,4-diketo-6,7-dihydro-5H-indol-1-ium-1-yl)propanoylamino]benzoic acid Formula: C18H17N2O5+ MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C(=O)C=C2C(=O)C1)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=[N+](C(=O)C=C2C(=O)C1)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O5/c21-15-7-3-6-14-12(15)10-17(23)20(14)9-8-16(22)19-13-5-2-1-4-11(13)18(24)25/h1-2,4-5,10H,3,6-9H2,(H-,19,22,24,25)/p+1