(E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]but-2-enedioic acid

Systemtic Name: (E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]but-2-enedioic acid Openeye Name: (E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]but-2-enedioic acid CAS Name: (E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]-2-butenedioic acid IUPAC Name: (E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]but-2-enedioic acid Traditional Name: (E)-2-[(2-carboxy-4-propyl-1H-indol-5-yl)oxy]but-2-enedioic acid Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C=C(N2)C(=O)O)OC(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1C=C(N2)C(=O)O)O/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C16H15NO7/c1-2-3-8-9-6-11(15(20)21)17-10(9)4-5-12(8)24-13(16(22)23)7-14(18)19/h4-7,17H,2-3H2,1H3,(H,18,19)(H,20,21)(H,22,23)/b13-7+