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

Systemtic Name: ethyl 1-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC=C(C=C2)Cl)C

InChI

InChI=1S/C16H18ClN3O3/c1-4-23-16(22)13-7-10(2)20(11(13)3)9-15(21)19-14-6-5-12(17)8-18-14/h5-8H,4,9H2,1-3H3,(H,18,19,21)