N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-1-methyl-2-[(5-nitro-2-furanyl)methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1H-isoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-isoquinoline-4-carboxamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=C(ON=C4C)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=C(ON=C4C)C

InChI

InChI=1S/C21H20N4O6/c1-11-20(13(3)31-23-11)22-21(27)18-10-24(9-15-5-7-19(30-15)25(28)29)12(2)17-8-14(26)4-6-16(17)18/h4-8,10,12,26H,9H2,1-3H3,(H,22,27)