ethyl 1-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2,4-dimethyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=NC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=NC=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-4-29-22(28)20-14(2)21(16-8-6-5-7-9-16)26(15(20)3)13-19(27)25-18-11-10-17(23)12-24-18/h5-12H,4,13H2,1-3H3,(H,24,25,27)