[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCC1=CNC2=CC=CC=C21)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCC1=CNC2=CC=CC=C21)/N

InChI

InChI=1S/C17H17N3O3/c1-11(19)14(8-18)16(21)10-23-17(22)7-6-12-9-20-15-5-3-2-4-13(12)15/h2-5,9,20H,6-7,10,19H2,1H3/b14-11+