2-[3-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C20H15N3O3/c21-11-14(20(26)22-16-6-2-1-3-7-16)10-15-12-23(13-19(24)25)18-9-5-4-8-17(15)18/h1-10,12H,13H2,(H,22,26)(H,24,25)/b14-10-