O1-ethyl O4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=C(NC2=CC=CC=C21)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=C(NC2=CC=CC=C21)C

InChI

InChI=1S/C17H17NO5/c1-3-22-15(20)8-9-16(21)23-10-14(19)17-11(2)18-13-7-5-4-6-12(13)17/h4-9,18H,3,10H2,1-2H3/b9-8+