[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl)C

InChI

InChI=1S/C21H19ClN2O5/c1-4-28-21(27)18-11(2)19(23-12(18)3)16(25)10-29-20(26)14-9-17(22)24-15-8-6-5-7-13(14)15/h5-9,23H,4,10H2,1-3H3