ethyl (E)-2-cyano-3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(2-anilino-2-oxo-ethyl)indol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(2-anilino-2-oxoethyl)-3-indolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(2-anilino-2-keto-ethyl)indol-3-yl]-2-cyano-acrylic acid ethyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H19N3O3/c1-2-28-22(27)16(13-23)12-17-14-25(20-11-7-6-10-19(17)20)15-21(26)24-18-8-4-3-5-9-18/h3-12,14H,2,15H2,1H3,(H,24,26)/b16-12+