7-chloranyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(oxidanylamino)-3-oxidanylidene-propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide

Systemtic Name: 7-chloranyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(oxidanylamino)-3-oxidanylidene-propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 7-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxyamino)-3-oxo-propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 7-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-3-(hydroxyamino)-3-oxopropyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 7-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-3-(hydroxyamino)-3-oxopropyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 7-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxyamino)-3-keto-propyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)NO)N2C(C3C(C2=O)C=CC=C3Cl)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)NO)N2C(C3C(C2=O)C=CC=C3Cl)C(=O)N)OC

InChI

InChI=1S/C21H24ClN3O6/c1-3-31-16-9-11(7-8-15(16)30-2)14(10-17(26)24-29)25-19(20(23)27)18-12(21(25)28)5-4-6-13(18)22/h4-9,12,14,18-19,29H,3,10H2,1-2H3,(H2,23,27)(H,24,26)