[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H17ClN2O5/c1-28-20(26)14-8-6-13(7-9-14)11-23-19(25)12-29-21(27)16-10-18(22)24-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,23,25)