[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C=CC2=CC=C(O2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)/C=C/C2=CC=C(O2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C22H18BrN3O4/c1-14-15(2)26(16-6-4-3-5-7-16)22(18(14)12-24)25-20(27)13-29-21(28)11-9-17-8-10-19(23)30-17/h3-11H,13H2,1-2H3,(H,25,27)/b11-9+