(3R)-N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-(2-methyl-4-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-(2-methyl-4-nitro-phenyl)isochroman-3-carboxamide Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C17H14N2O5/c1-10-8-12(19(22)23)6-7-14(10)18-16(20)15-9-11-4-2-3-5-13(11)17(21)24-15/h2-8,15H,9H2,1H3,(H,18,20)/t15-/m1/s1