[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H14ClN3O4/c1-10(16(23)21-13-7-4-8-20-15(13)19)26-18(25)14-9-11-5-2-3-6-12(11)17(24)22-14/h2-10H,1H3,(H,21,23)(H,22,24)/t10-/m1/s1