ethyl 2-[3-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid ethyl ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrN3O3/c1-2-29-21(27)14-26-13-16(19-8-3-4-9-20(19)26)10-15(12-24)22(28)25-18-7-5-6-17(23)11-18/h3-11,13H,2,14H2,1H3,(H,25,28)