[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C19H17Cl2NO5 MolecularWeight: 410.24798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)Cl

InChI

InChI=1S/C19H17Cl2NO5/c1-25-17-5-3-14(8-15(17)21)22-18(23)10-27-19(24)12-6-11-7-13(20)2-4-16(11)26-9-12/h2-5,7-8,12H,6,9-10H2,1H3,(H,22,23)/t12-/m0/s1