[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic 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] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O5/c1-15-16(2)27(17-8-4-3-5-9-17)23(18(15)12-25)26-22(28)14-31-24(29)21-13-30-19-10-6-7-11-20(19)32-21/h3-11,21H,13-14H2,1-2H3,(H,26,28)