2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H16N2O7/c1-30-11-3-5-16-14(9-11)12(17(22-16)21(28)29)6-7-23-18(24)13-4-2-10(20(26)27)8-15(13)19(23)25/h2-5,8-9,22H,6-7H2,1H3,(H,26,27)(H,28,29)